| Chain sequence(s) |
A: GPLPLNPEPELRPTTEYVEETDLLYIAETDLITETGNPTKDVVVNGKVVVPRVSAYDWRVFKLTLPDPNTLPLPSDDFLNPETEIRIWVLKAYKIGVFGPLGKGSYGHPNWNRFGDVTNPTSYQQCTADDTVDYSFTPKLLQMYIIGDRPPLGKYTAKAAPEPGLPPGATPPTKEVTDIINHGDRADIGFGAKDFKALDPEKNNVPDLILDTTTKVVDFEKMKADPWGTRMFDYDYYEKSYDKEKYVRCGPVKNPLPSSPPPSPLYVPPPPSSPYATLPPYDFFTTPDRGEITEEDEIFNKPYFFEKTPGLNNGVLWYNRLYVTVLDNRRAEIEEIRTRISTPPLNVYDPANYVTSKRYTRQYKLSFILQLAKIPLTPEILKELERRDPSILVNANLPDIPPVERPDPYAGQKFIEIDLTNKLSSDLSKSELGQEYLNR
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 | -0.2124 | |
| 2 | P | A | 0.4250 | |
| 3 | L | A | 1.3954 | |
| 4 | P | A | 0.7112 | |
| 5 | L | A | 0.8748 | |
| 6 | N | A | -1.0153 | |
| 7 | P | A | -1.7683 | |
| 8 | E | A | -2.5754 | |
| 9 | P | A | -2.3033 | |
| 10 | E | A | -2.5581 | |
| 11 | L | A | -1.4143 | |
| 12 | R | A | -1.9572 | |
| 13 | P | A | -1.2622 | |
| 14 | T | A | 0.0000 | |
| 15 | T | A | -1.8912 | |
| 16 | E | A | -2.4201 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | E | A | -2.7782 | |
| 20 | E | A | -2.6183 | |
| 21 | T | A | -1.8509 | |
| 22 | D | A | -1.8928 | |
| 23 | L | A | -0.6975 | |
| 24 | L | A | -0.3245 | |
| 25 | Y | A | -0.1381 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.0454 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3650 | |
| 31 | L | A | 0.3979 | |
| 32 | I | A | 0.2297 | |
| 33 | T | A | -0.0628 | |
| 34 | E | A | -0.4248 | |
| 35 | T | A | -0.4253 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -1.5757 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.5142 | |
| 40 | K | A | -2.0658 | |
| 41 | D | A | -0.8473 | |
| 42 | V | A | 1.1927 | |
| 43 | V | A | 2.2555 | |
| 44 | V | A | 1.7722 | |
| 45 | N | A | -0.4841 | |
| 46 | G | A | -0.3206 | |
| 47 | K | A | -0.0705 | |
| 48 | V | A | 1.9852 | |
| 49 | V | A | 2.5510 | |
| 50 | V | A | 1.1616 | |
| 51 | P | A | -0.1889 | |
| 52 | R | A | -1.2506 | |
| 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 | K | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.1892 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -0.6408 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -0.7283 | |
| 70 | T | A | -0.2868 | |
| 71 | L | A | -0.0582 | |
| 72 | P | A | -0.3432 | |
| 73 | L | A | -0.4608 | |
| 74 | P | A | -0.7196 | |
| 75 | S | A | -1.5149 | |
| 76 | D | A | -2.7192 | |
| 77 | D | A | -2.6462 | |
| 78 | F | A | -1.2860 | |
| 79 | L | A | -1.5221 | |
| 80 | N | A | -2.2173 | |
| 81 | P | A | -1.6901 | |
| 82 | E | A | -2.5533 | |
| 83 | T | A | -1.4209 | |
| 84 | E | A | -1.2600 | |
| 85 | I | A | 0.0000 | |
| 86 | R | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -0.5309 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | K | A | -0.9292 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | F | A | 0.5573 | |
| 99 | G | A | -0.1908 | |
| 100 | P | A | -0.2672 | |
| 101 | L | A | -0.0382 | |
| 102 | G | A | -0.8773 | |
| 103 | K | A | -1.8425 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.6915 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.9936 | |
| 108 | H | A | -1.5484 | |
| 109 | P | A | -1.7353 | |
| 110 | N | A | -2.4815 | |
| 111 | W | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | R | A | -0.7051 | |
| 114 | F | A | -0.5047 | |
| 115 | G | A | -0.6151 | |
| 116 | D | A | -1.2382 | |
| 117 | V | A | -0.4438 | |
| 118 | T | A | -1.3872 | |
| 119 | N | A | -1.6582 | |
| 120 | P | A | -1.0710 | |
| 121 | T | A | -0.7001 | |
| 122 | S | A | -0.6314 | |
| 123 | Y | A | -0.0685 | |
| 124 | Q | A | -1.1156 | |
| 125 | Q | A | -0.9297 | |
| 126 | C | A | -0.8441 | |
| 127 | T | A | -0.9126 | |
| 128 | A | A | -0.8895 | |
| 129 | D | A | -2.0025 | |
| 130 | D | A | -1.3905 | |
| 131 | T | A | -1.4038 | |
| 132 | V | A | -1.1788 | |
| 133 | D | A | -2.0750 | |
| 134 | Y | A | -1.0638 | |
| 135 | S | A | -0.6387 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | -0.6351 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | M | 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 | -0.4940 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -1.0445 | |
| 155 | Y | A | -1.0136 | |
| 156 | T | A | -1.7209 | |
| 157 | A | A | -1.9712 | |
| 158 | K | A | -2.2028 | |
| 159 | A | A | -1.6964 | |
| 160 | A | A | -1.0645 | |
| 161 | P | A | -1.3548 | |
| 162 | E | A | -2.0160 | |
| 163 | P | A | -1.2708 | |
| 164 | G | A | -0.8505 | |
| 165 | L | A | -0.3910 | |
| 166 | P | A | -0.3112 | |
| 167 | P | A | -0.5028 | |
| 168 | G | A | -0.9009 | |
| 169 | A | A | -0.5998 | |
| 170 | T | A | -0.4732 | |
| 171 | P | A | -0.6955 | |
| 172 | P | A | -1.1087 | |
| 173 | T | A | -1.8202 | |
| 174 | K | A | -2.8689 | |
| 175 | E | A | -2.7923 | |
| 176 | V | A | -1.5074 | |
| 177 | T | A | -1.0371 | |
| 178 | D | A | -0.5419 | |
| 179 | I | A | -0.5208 | |
| 180 | I | A | 0.0000 | |
| 181 | N | A | -1.0906 | |
| 182 | H | A | -0.8983 | |
| 183 | G | A | -0.6838 | |
| 184 | D | A | -0.5871 | |
| 185 | R | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.4440 | |
| 190 | F | A | -0.0280 | |
| 191 | G | A | -0.2606 | |
| 192 | A | A | -0.4773 | |
| 193 | K | A | -1.3211 | |
| 194 | D | A | -1.4132 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -2.9810 | |
| 197 | A | A | -1.4799 | |
| 198 | L | A | -1.3083 | |
| 199 | D | A | 0.0000 | |
| 200 | P | A | -2.0481 | |
| 201 | E | A | -2.5912 | |
| 202 | K | A | -3.3468 | |
| 203 | N | A | -2.0630 | |
| 204 | N | A | -1.4244 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.6464 | |
| 208 | L | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.9454 | |
| 211 | D | A | -2.5657 | |
| 212 | T | A | -1.4130 | |
| 213 | T | A | -0.9083 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.2983 | |
| 217 | V | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | -1.5773 | |
| 220 | E | A | -3.0760 | |
| 221 | K | A | -3.0370 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.9079 | |
| 224 | A | A | -2.0256 | |
| 225 | D | A | -1.5975 | |
| 226 | P | A | -0.6666 | |
| 227 | W | A | -0.3890 | |
| 228 | G | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | R | A | -0.7546 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -0.6879 | |
| 234 | Y | A | 0.0235 | |
| 235 | D | A | 0.0605 | |
| 236 | Y | A | 0.7422 | |
| 237 | Y | A | -0.2546 | |
| 238 | E | A | -1.5910 | |
| 239 | K | A | -1.8176 | |
| 240 | S | A | -1.2671 | |
| 241 | Y | A | -0.9121 | |
| 242 | D | A | -2.5985 | |
| 243 | K | A | -2.8353 | |
| 244 | E | A | -2.3258 | |
| 245 | K | A | -1.9384 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | C | A | -0.4624 | |
| 250 | G | A | -0.8312 | |
| 251 | P | A | -0.9017 | |
| 252 | V | A | -1.0818 | |
| 253 | K | A | -2.2044 | |
| 254 | N | A | -1.9306 | |
| 255 | P | A | -0.8836 | |
| 256 | L | A | 0.3518 | |
| 257 | P | A | -0.0203 | |
| 258 | S | A | 0.1369 | |
| 259 | S | A | -0.5944 | |
| 260 | P | A | -0.6685 | |
| 261 | P | A | -0.3975 | |
| 262 | P | A | 0.0135 | |
| 263 | S | A | 0.0000 | |
| 264 | P | A | 0.7235 | |
| 265 | L | A | 1.9366 | |
| 266 | Y | A | 1.7592 | |
| 267 | V | A | 1.9552 | |
| 268 | P | A | 0.9463 | |
| 269 | P | A | 0.4363 | |
| 270 | P | A | -0.1621 | |
| 271 | P | A | -0.3866 | |
| 272 | S | A | -0.3301 | |
| 273 | S | A | -0.0512 | |
| 274 | P | A | 0.1378 | |
| 275 | Y | A | 0.8364 | |
| 276 | A | A | 0.3253 | |
| 277 | T | A | 0.2009 | |
| 278 | L | A | 0.5550 | |
| 279 | P | A | -0.2022 | |
| 280 | P | A | -0.1810 | |
| 281 | Y | A | 0.2460 | |
| 282 | D | A | -0.5718 | |
| 283 | F | A | 1.0044 | |
| 284 | F | A | 0.2041 | |
| 285 | T | A | -0.8484 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | R | A | 0.0000 | |
| 290 | G | A | -1.4603 | |
| 291 | E | A | -1.9574 | |
| 292 | I | A | -1.3802 | |
| 293 | T | A | -1.8626 | |
| 294 | E | A | -2.7530 | |
| 295 | E | A | -2.9501 | |
| 296 | D | A | -2.0382 | |
| 297 | E | A | -1.5356 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.0885 | |
| 301 | K | A | -1.3827 | |
| 302 | P | A | -0.8409 | |
| 303 | Y | A | -0.1949 | |
| 304 | F | A | -0.4741 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -2.5855 | |
| 307 | K | A | -2.7098 | |
| 308 | T | A | 0.0000 | |
| 309 | P | A | -1.0111 | |
| 310 | G | A | -0.8227 | |
| 311 | L | A | -0.5304 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | -0.9951 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | Y | A | -0.1623 | |
| 319 | N | A | -0.4401 | |
| 320 | R | A | -0.7321 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | 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 | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.3652 | |
| 333 | I | A | -2.2025 | |
| 334 | E | A | -3.2115 | |
| 335 | E | A | -3.1400 | |
| 336 | I | A | -1.2473 | |
| 337 | R | A | -1.8752 | |
| 338 | T | A | -0.8274 | |
| 339 | R | A | -0.9429 | |
| 340 | I | A | 1.1232 | |
| 341 | S | A | 0.2619 | |
| 342 | T | A | -0.1622 | |
| 343 | P | A | -0.4271 | |
| 344 | P | A | -0.0317 | |
| 345 | L | A | 0.6199 | |
| 346 | N | A | 0.0264 | |
| 347 | V | A | 1.7495 | |
| 348 | Y | A | 1.5582 | |
| 349 | D | A | 0.0494 | |
| 350 | P | A | -0.1591 | |
| 351 | A | A | 0.0671 | |
| 352 | N | A | -0.0649 | |
| 353 | Y | A | 0.1172 | |
| 354 | V | A | 0.8107 | |
| 355 | T | A | -0.7532 | |
| 356 | S | A | -1.2623 | |
| 357 | K | A | -2.3406 | |
| 358 | R | A | -1.9369 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.7113 | |
| 361 | R | A | 0.0000 | |
| 362 | Q | A | 0.0142 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.8020 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -0.6039 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | K | A | -1.3428 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.9462 | |
| 376 | L | A | -0.7164 | |
| 377 | T | A | -0.8475 | |
| 378 | P | A | -1.4104 | |
| 379 | E | A | -2.3522 | |
| 380 | I | A | 0.0000 | |
| 381 | L | A | -1.5990 | |
| 382 | K | A | -3.0084 | |
| 383 | E | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | E | A | -2.7729 | |
| 386 | R | A | -2.1008 | |
| 387 | R | A | 0.0000 | |
| 388 | D | A | -1.0983 | |
| 389 | P | A | -1.4241 | |
| 390 | S | A | -0.4992 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -0.3997 | |
| 393 | V | A | -0.3797 | |
| 394 | N | A | -0.7852 | |
| 395 | A | A | -0.7612 | |
| 396 | N | A | -1.4313 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | -1.6974 | |
| 399 | D | A | -2.0984 | |
| 400 | I | A | -0.4879 | |
| 401 | P | A | -0.4519 | |
| 402 | P | A | -0.5261 | |
| 403 | V | A | 0.3349 | |
| 404 | E | A | -1.7189 | |
| 405 | R | A | -1.8254 | |
| 406 | P | A | -1.3618 | |
| 407 | D | A | -1.4156 | |
| 408 | P | A | -0.8330 | |
| 409 | Y | A | -0.7107 | |
| 410 | A | A | -0.8332 | |
| 411 | G | A | -1.1590 | |
| 412 | Q | A | -1.5524 | |
| 413 | K | A | -2.2571 | |
| 414 | F | A | -1.2893 | |
| 415 | I | A | -1.0650 | |
| 416 | E | A | -2.1787 | |
| 417 | I | A | -1.6971 | |
| 418 | D | A | -2.4770 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.3722 | |
| 421 | N | A | -1.8390 | |
| 422 | K | A | -1.7393 | |
| 423 | L | A | -0.6163 | |
| 424 | S | A | -0.8383 | |
| 425 | S | A | -0.5892 | |
| 426 | D | A | -1.3770 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -1.7165 | |
| 429 | K | A | -2.6141 | |
| 430 | S | A | 0.0000 | |
| 431 | E | A | -2.6855 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | Q | A | -2.3009 | |
| 435 | E | A | -1.8269 | |
| 436 | Y | A | -0.7916 | |
| 437 | L | A | -0.0987 | |
| 438 | N | A | -1.7875 | |
| 439 | R | A | -2.0825 |
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