| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKNGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEPVHEGADDRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRCGPEGHPLPSAPPPSPLYVPPPPDSPYATPPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPAPNVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:07)
|
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 | Y | A | 1.9434 | |
| 2 | L | A | 1.9628 | |
| 3 | P | A | 0.8375 | |
| 4 | P | A | 0.3742 | |
| 5 | T | A | 0.1255 | |
| 6 | T | A | 0.1284 | |
| 7 | P | A | 0.1823 | |
| 8 | V | A | 1.2137 | |
| 9 | A | A | 0.0874 | |
| 10 | K | A | -1.0269 | |
| 11 | V | A | -0.1664 | |
| 12 | Q | A | -1.4011 | |
| 13 | S | A | -1.5601 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4413 | |
| 16 | E | A | -2.4499 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4543 | |
| 20 | P | A | 0.1252 | |
| 21 | T | A | 0.1811 | |
| 22 | S | A | -0.0919 | |
| 23 | L | A | 0.1250 | |
| 24 | F | A | -0.0202 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.3026 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.9048 | |
| 31 | R | A | -2.6813 | |
| 32 | L | A | -0.7990 | |
| 33 | L | A | 1.1563 | |
| 34 | T | A | 1.3646 | |
| 35 | V | A | 1.8172 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2285 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6032 | |
| 40 | K | A | -1.6227 | |
| 41 | D | A | -0.9184 | |
| 42 | I | A | 0.8401 | |
| 43 | V | A | 1.0148 | |
| 44 | K | A | -1.1848 | |
| 45 | N | A | -1.9337 | |
| 46 | G | A | -1.2360 | |
| 47 | K | A | -0.9852 | |
| 48 | V | A | 1.4266 | |
| 49 | V | A | 2.0229 | |
| 50 | V | A | 1.2383 | |
| 51 | P | A | 0.4339 | |
| 52 | K | A | -0.6421 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.1439 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3830 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2647 | |
| 70 | K | A | -1.7818 | |
| 71 | F | A | -0.6292 | |
| 72 | A | A | -0.5699 | |
| 73 | L | A | -0.8573 | |
| 74 | P | A | -1.2037 | |
| 75 | Q | A | -2.5074 | |
| 76 | K | A | -3.1093 | |
| 77 | D | A | -2.9915 | |
| 78 | F | A | -1.6583 | |
| 79 | Y | A | -1.8887 | |
| 80 | D | A | -2.6802 | |
| 81 | P | A | -2.3038 | |
| 82 | E | A | -3.0493 | |
| 83 | K | A | -3.3877 | |
| 84 | E | A | -2.4542 | |
| 85 | R | A | -1.2935 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6611 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9663 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3579 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6929 | |
| 99 | G | A | -0.5270 | |
| 100 | P | A | -0.3813 | |
| 101 | L | A | 0.0918 | |
| 102 | G | A | -0.1709 | |
| 103 | K | A | -0.5854 | |
| 104 | G | A | -0.4328 | |
| 105 | T | A | -0.4447 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1495 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4214 | |
| 110 | L | A | 0.2926 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1109 | |
| 113 | K | A | -0.3102 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.2238 | |
| 116 | D | A | -1.4017 | |
| 117 | T | A | -0.8226 | |
| 118 | E | A | -1.8263 | |
| 119 | N | A | -2.2164 | |
| 120 | P | A | -1.8681 | |
| 121 | T | A | -1.5599 | |
| 122 | E | A | -2.1812 | |
| 123 | P | A | -1.0864 | |
| 124 | V | A | -0.9517 | |
| 125 | H | A | -1.8489 | |
| 126 | E | A | -2.5031 | |
| 127 | G | A | -2.1243 | |
| 128 | A | A | -1.5552 | |
| 129 | D | A | -2.4425 | |
| 130 | D | A | -2.1020 | |
| 131 | R | A | -1.1104 | |
| 132 | V | A | 0.2360 | |
| 133 | A | A | 0.4500 | |
| 134 | F | A | 0.2817 | |
| 135 | S | A | -0.0663 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.5263 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | -0.2208 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5747 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2147 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1477 | |
| 157 | D | A | 0.3202 | |
| 158 | L | A | 0.7776 | |
| 159 | A | A | 0.1562 | |
| 160 | E | A | -1.4620 | |
| 161 | P | A | -0.2182 | |
| 162 | C | A | 0.1907 | |
| 163 | P | A | -0.1671 | |
| 164 | G | A | -0.0737 | |
| 165 | L | A | 0.6026 | |
| 166 | P | A | -0.1173 | |
| 167 | P | A | -0.3409 | |
| 168 | G | A | -0.4514 | |
| 169 | A | A | -0.0251 | |
| 170 | C | A | 0.6489 | |
| 171 | P | A | 0.5200 | |
| 172 | P | A | 0.7406 | |
| 173 | I | A | 1.9667 | |
| 174 | Q | A | 0.8410 | |
| 175 | L | A | 1.4881 | |
| 176 | V | A | 0.8579 | |
| 177 | N | A | -0.3254 | |
| 178 | S | A | 0.0098 | |
| 179 | V | A | 0.3909 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3768 | |
| 182 | D | A | 0.0804 | |
| 183 | G | A | -0.1569 | |
| 184 | D | A | -0.5396 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1281 | |
| 190 | F | A | 0.0596 | |
| 191 | G | A | -0.1032 | |
| 192 | N | A | -0.2540 | |
| 193 | M | A | -0.1114 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3950 | |
| 197 | E | A | -2.5910 | |
| 198 | L | A | -1.2296 | |
| 199 | Q | A | -2.5538 | |
| 200 | Q | A | -3.3255 | |
| 201 | D | A | -3.5856 | |
| 202 | R | A | -3.3326 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2153 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3480 | |
| 211 | S | A | -1.8709 | |
| 212 | T | A | -1.4202 | |
| 213 | R | A | -2.0660 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1515 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3219 | |
| 220 | L | A | 0.5260 | |
| 221 | K | A | -1.2755 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8676 | |
| 224 | N | A | -1.5513 | |
| 225 | E | A | -1.2781 | |
| 226 | A | A | -0.6036 | |
| 227 | Y | A | -0.3605 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7062 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0744 | |
| 234 | F | A | 0.2567 | |
| 235 | G | A | -0.8192 | |
| 236 | R | A | -2.6021 | |
| 237 | R | A | -2.8844 | |
| 238 | E | A | -2.1726 | |
| 239 | Q | A | -0.1821 | |
| 240 | V | A | 1.4583 | |
| 241 | Y | A | 1.2556 | |
| 242 | A | A | 0.1923 | |
| 243 | R | A | -1.1562 | |
| 244 | H | A | -1.0089 | |
| 245 | F | A | -0.0192 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5909 | |
| 249 | C | A | -1.2659 | |
| 250 | G | A | -1.0870 | |
| 251 | P | A | -1.1057 | |
| 252 | E | A | -1.2988 | |
| 253 | G | A | -1.2518 | |
| 254 | H | A | -1.4422 | |
| 255 | P | A | -1.0130 | |
| 256 | L | A | 0.1342 | |
| 257 | P | A | -0.0996 | |
| 258 | S | A | -0.1411 | |
| 259 | A | A | 0.3059 | |
| 260 | P | A | -0.3146 | |
| 261 | P | A | -0.1994 | |
| 262 | P | A | 0.0523 | |
| 263 | S | A | 0.5253 | |
| 264 | P | A | 0.6925 | |
| 265 | L | A | 1.9061 | |
| 266 | Y | A | 1.7502 | |
| 267 | V | A | 1.9602 | |
| 268 | P | A | 0.8712 | |
| 269 | P | A | 0.0977 | |
| 270 | P | A | -0.6571 | |
| 271 | P | A | -1.1551 | |
| 272 | D | A | -1.9105 | |
| 273 | S | A | -0.8657 | |
| 274 | P | A | -0.3818 | |
| 275 | Y | A | 0.3803 | |
| 276 | A | A | -0.2524 | |
| 277 | T | A | 0.0141 | |
| 278 | P | A | 0.1857 | |
| 279 | P | A | -0.4461 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.3611 | |
| 282 | D | A | -0.8457 | |
| 283 | Y | A | 0.8602 | |
| 284 | F | A | 0.6863 | |
| 285 | G | A | 0.2083 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9137 | |
| 291 | L | A | 1.6095 | |
| 292 | V | A | 0.6354 | |
| 293 | S | A | -0.1521 | |
| 294 | S | A | -0.9527 | |
| 295 | D | A | -1.8423 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0991 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6283 | |
| 301 | R | A | -1.8429 | |
| 302 | P | A | -0.9833 | |
| 303 | F | A | -0.1960 | |
| 304 | W | A | -0.5716 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0873 | |
| 307 | R | A | -2.8349 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2501 | |
| 310 | G | A | -1.2251 | |
| 311 | N | A | -1.2765 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.8145 | |
| 319 | N | A | -0.9275 | |
| 320 | E | A | -1.0339 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.3152 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0774 | |
| 333 | N | A | 0.5244 | |
| 334 | F | A | 1.6966 | |
| 335 | T | A | 0.8397 | |
| 336 | I | A | 0.3931 | |
| 337 | S | A | -1.0576 | |
| 338 | Q | A | -1.9082 | |
| 339 | Q | A | -1.6204 | |
| 340 | L | A | 0.2361 | |
| 341 | S | A | 0.0189 | |
| 342 | T | A | -0.1766 | |
| 343 | P | A | -0.4803 | |
| 344 | A | A | -0.1330 | |
| 345 | P | A | -0.0810 | |
| 346 | N | A | -0.2955 | |
| 347 | V | A | 1.5045 | |
| 348 | Y | A | 1.3591 | |
| 349 | D | A | -0.1224 | |
| 350 | P | A | -0.7323 | |
| 351 | S | A | -0.5933 | |
| 352 | N | A | -0.4480 | |
| 353 | F | A | -1.1559 | |
| 354 | K | A | -2.0718 | |
| 355 | N | A | -1.8599 | |
| 356 | Y | A | -0.1470 | |
| 357 | L | A | 0.6243 | |
| 358 | R | A | 0.9455 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3683 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0824 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0592 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6918 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.3019 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3000 | |
| 376 | L | A | -1.6959 | |
| 377 | D | A | -1.9631 | |
| 378 | P | A | -1.0261 | |
| 379 | G | A | -1.0046 | |
| 380 | V | A | -0.9223 | |
| 381 | L | A | -0.5234 | |
| 382 | A | A | -0.6490 | |
| 383 | H | A | -0.7995 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3981 | |
| 386 | T | A | -0.5477 | |
| 387 | M | A | -0.2958 | |
| 388 | N | A | -0.8611 | |
| 389 | P | A | -1.2375 | |
| 390 | T | A | -1.4413 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4473 | |
| 393 | E | A | -2.7819 | |
| 394 | N | A | -2.3856 | |
| 395 | W | A | -1.3984 | |
| 396 | N | A | -1.1758 | |
| 397 | L | A | -0.2371 | |
| 398 | G | A | 0.4878 | |
| 399 | F | A | 2.4002 | |
| 400 | V | A | 1.8104 | |
| 401 | P | A | 0.0409 | |
| 402 | P | A | -1.8450 | |
| 403 | K | A | -3.3127 | |
| 404 | E | A | -3.7704 | |
| 405 | R | A | -3.8945 | |
| 406 | E | A | -3.7852 | |
| 407 | D | A | -2.8758 | |
| 408 | P | A | -1.7652 | |
| 409 | Y | A | -0.9921 | |
| 410 | K | A | -2.1176 | |
| 411 | G | A | -0.6375 | |
| 412 | L | A | 0.6761 | |
| 413 | I | A | 1.5864 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4011 | |
| 416 | E | A | -1.7002 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9582 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0640 | |
| 421 | E | A | -2.8074 | |
| 422 | R | A | -2.6836 | |
| 423 | F | A | -1.2999 | |
| 424 | S | A | -1.4735 | |
| 425 | Q | A | -1.8491 | |
| 426 | D | A | -2.9660 | |
| 427 | L | A | -2.1588 | |
| 428 | D | A | -3.0307 | |
| 429 | Q | A | -2.7542 | |
| 430 | F | A | -1.6010 | |
| 431 | A | A | -1.1231 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.2395 | |
| 435 | K | A | -1.0711 | |
| 436 | F | A | -0.0990 | |
| 437 | L | A | 0.7932 | |
| 438 | Y | A | 0.6366 | |
| 439 | Q | A | -0.3806 |
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