| Chain sequence(s) |
A: MPGIKRILTVTILALCLPSPGNAQAQCTNGFDLDRQSGQCLDIDECRTIPEACRGDMMCVNQNGGYLCIPRTNPVYRGPYSNPYSTPYSGPYPAAAPPLSAPNYPTISRPLICRFGYQMDESNQCVDVDECATDSHQCNPTQICINTEGGYTCSCTDGYWLLEGQCLDIDECRYGYCQQLCANVPGSYSCTCNPGFTLNEDGRSCQDVNECATENPCVQTCVNTYGPFICRCDPGYELEEDGVHCSDMDECSFSEFLCQHECVNQPGTYFCSCPPGYILLDDNRSCQDINECEHRNHTCNLQQTCYNLQGGFKCIDPIRCEEPYLRISDNRCMCPAENPGCRDQPFTILYRDMDVVSGRSVPADIFQMQATTRYPGAYYIFQIKSGNEGREFYMRQTGPISATLVMTRPIKGPREIQLDLEMITVNTVINFRGSSVIRLRIYVSQYPF
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:20)
[INFO] Main: Simulation completed successfully. (00:02:23)
|
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 | 0.8398 | |
| 2 | P | A | 0.5808 | |
| 3 | G | A | 0.0450 | |
| 4 | I | A | 0.4907 | |
| 5 | K | A | -0.9574 | |
| 6 | R | A | 0.3233 | |
| 7 | I | A | 2.4481 | |
| 8 | L | A | 2.5492 | |
| 9 | T | A | 1.7695 | |
| 10 | V | A | 1.6369 | |
| 11 | T | A | 1.1399 | |
| 12 | I | A | 1.5099 | |
| 13 | L | A | 0.0000 | |
| 14 | A | A | 0.3761 | |
| 15 | L | A | -0.2156 | |
| 16 | C | A | -0.0197 | |
| 17 | L | A | 1.2188 | |
| 18 | P | A | 0.2875 | |
| 19 | S | A | -0.1754 | |
| 20 | P | A | -0.6274 | |
| 21 | G | A | -1.0781 | |
| 22 | N | A | -1.5992 | |
| 23 | A | A | -1.1278 | |
| 24 | Q | A | -1.4251 | |
| 25 | A | A | 0.0000 | |
| 26 | Q | A | -0.1364 | |
| 27 | C | A | 0.0000 | |
| 28 | T | A | -0.1869 | |
| 29 | N | A | -1.3582 | |
| 30 | G | A | -1.6665 | |
| 31 | F | A | -0.4555 | |
| 32 | D | A | -0.7710 | |
| 33 | L | A | -0.1817 | |
| 34 | D | A | -1.5427 | |
| 35 | R | A | -2.5720 | |
| 36 | Q | A | -2.3159 | |
| 37 | S | A | -1.6886 | |
| 38 | G | A | -1.5315 | |
| 39 | Q | A | -1.2916 | |
| 40 | C | A | -0.1389 | |
| 41 | L | A | -0.9866 | |
| 42 | D | A | -2.0279 | |
| 43 | I | A | -2.2123 | |
| 44 | D | A | -2.8115 | |
| 45 | E | A | -1.9580 | |
| 46 | C | A | 0.0000 | |
| 47 | R | A | -2.2490 | |
| 48 | T | A | -1.5418 | |
| 49 | I | A | -0.9772 | |
| 50 | P | A | -1.8256 | |
| 51 | E | A | -2.1518 | |
| 52 | A | A | -1.5352 | |
| 53 | C | A | -0.4256 | |
| 54 | R | A | -0.6743 | |
| 55 | G | A | -0.2436 | |
| 56 | D | A | 0.2234 | |
| 57 | M | A | 0.6886 | |
| 58 | M | A | 0.9296 | |
| 59 | C | A | -0.0662 | |
| 60 | V | A | -0.8169 | |
| 61 | N | A | -2.2531 | |
| 62 | Q | A | -2.3653 | |
| 63 | N | A | -2.0553 | |
| 64 | G | A | -1.3857 | |
| 65 | G | A | -0.6414 | |
| 66 | Y | A | 0.5838 | |
| 67 | L | A | 1.1572 | |
| 68 | C | A | 0.7442 | |
| 69 | I | A | 0.2432 | |
| 70 | P | A | -0.8450 | |
| 71 | R | A | -2.2113 | |
| 72 | T | A | -1.8746 | |
| 73 | N | A | -1.9655 | |
| 74 | P | A | -1.0823 | |
| 75 | V | A | -0.6525 | |
| 76 | Y | A | -0.7223 | |
| 77 | R | A | -1.8041 | |
| 78 | G | A | -1.1381 | |
| 79 | P | A | -0.3308 | |
| 80 | Y | A | 0.5700 | |
| 81 | S | A | -0.0880 | |
| 82 | N | A | -0.6178 | |
| 83 | P | A | 0.0000 | |
| 84 | Y | A | 0.6852 | |
| 85 | S | A | 0.1660 | |
| 86 | T | A | 0.0418 | |
| 87 | P | A | -0.0203 | |
| 88 | Y | A | 0.0000 | |
| 89 | S | A | -0.3106 | |
| 90 | G | A | -0.7697 | |
| 91 | P | A | -0.6014 | |
| 92 | Y | A | 0.0000 | |
| 93 | P | A | -0.3186 | |
| 94 | A | A | 0.1255 | |
| 95 | A | A | -0.1355 | |
| 96 | A | A | -0.3641 | |
| 97 | P | A | -0.1198 | |
| 98 | P | A | 0.2934 | |
| 99 | L | A | 1.2266 | |
| 100 | S | A | 0.4885 | |
| 101 | A | A | 0.2086 | |
| 102 | P | A | -0.0123 | |
| 103 | N | A | 0.3089 | |
| 104 | Y | A | 0.9475 | |
| 105 | P | A | 0.5738 | |
| 106 | T | A | 0.4327 | |
| 107 | I | A | 0.4564 | |
| 108 | S | A | 0.0000 | |
| 109 | R | A | -0.0175 | |
| 110 | P | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | I | A | 0.9440 | |
| 113 | C | A | 0.9606 | |
| 114 | R | A | 0.7467 | |
| 115 | F | A | 1.8481 | |
| 116 | G | A | 0.7469 | |
| 117 | Y | A | 0.5600 | |
| 118 | Q | A | 0.0000 | |
| 119 | M | A | 0.1853 | |
| 120 | D | A | 0.0000 | |
| 121 | E | A | -0.6049 | |
| 122 | S | A | -0.9593 | |
| 123 | N | A | -1.3808 | |
| 124 | Q | A | -1.1796 | |
| 125 | C | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | D | A | -0.8349 | |
| 128 | V | A | -0.4219 | |
| 129 | D | A | -2.0937 | |
| 130 | E | A | -2.0313 | |
| 131 | C | A | 0.0000 | |
| 132 | A | A | -1.4308 | |
| 133 | T | A | -1.1581 | |
| 134 | D | A | -1.1889 | |
| 135 | S | A | 0.0000 | |
| 136 | H | A | -0.7137 | |
| 137 | Q | A | 0.0000 | |
| 138 | C | A | 0.0000 | |
| 139 | N | A | -0.1350 | |
| 140 | P | A | -0.0190 | |
| 141 | T | A | -0.0077 | |
| 142 | Q | A | 0.0000 | |
| 143 | I | A | 0.2686 | |
| 144 | C | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | -0.5378 | |
| 147 | T | A | -0.6734 | |
| 148 | E | A | -2.2615 | |
| 149 | G | A | -1.3777 | |
| 150 | G | A | -1.1747 | |
| 151 | Y | A | -0.7336 | |
| 152 | T | A | -0.3832 | |
| 153 | C | A | -0.2276 | |
| 154 | S | A | 0.0000 | |
| 155 | C | A | -0.7788 | |
| 156 | T | A | -1.3359 | |
| 157 | D | A | -2.0821 | |
| 158 | G | A | -0.7673 | |
| 159 | Y | A | 0.9835 | |
| 160 | W | A | 1.2468 | |
| 161 | L | A | 2.1379 | |
| 162 | L | A | 1.6915 | |
| 163 | E | A | -0.8303 | |
| 164 | G | A | 0.0386 | |
| 165 | Q | A | -0.4174 | |
| 166 | C | A | -0.4538 | |
| 167 | L | A | -0.7688 | |
| 168 | D | A | -2.4019 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -2.9440 | |
| 171 | E | A | -2.4256 | |
| 172 | C | A | -1.3033 | |
| 173 | R | A | -1.9626 | |
| 174 | Y | A | -0.0142 | |
| 175 | G | A | -0.4104 | |
| 176 | Y | A | 0.0000 | |
| 177 | C | A | -1.5212 | |
| 178 | Q | A | 0.0000 | |
| 179 | Q | A | -0.6714 | |
| 180 | L | A | 0.0000 | |
| 181 | C | A | -0.0516 | |
| 182 | A | A | -0.0727 | |
| 183 | N | A | -0.2365 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | 0.0032 | |
| 186 | G | A | 0.3249 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.2857 | |
| 189 | S | A | -0.0170 | |
| 190 | C | A | -0.2087 | |
| 191 | T | A | -0.4781 | |
| 192 | C | A | -0.8204 | |
| 193 | N | A | -1.4112 | |
| 194 | P | A | -1.0279 | |
| 195 | G | A | 0.0000 | |
| 196 | F | A | -0.4071 | |
| 197 | T | A | 0.0000 | |
| 198 | L | A | -0.0727 | |
| 199 | N | A | -0.8296 | |
| 200 | E | A | -1.4729 | |
| 201 | D | A | -1.5024 | |
| 202 | G | A | -1.4329 | |
| 203 | R | A | -2.4185 | |
| 204 | S | A | -1.9986 | |
| 205 | C | A | 0.0000 | |
| 206 | Q | A | -1.9832 | |
| 207 | D | A | -2.3812 | |
| 208 | V | A | -1.2770 | |
| 209 | N | A | -1.6922 | |
| 210 | E | A | -2.4667 | |
| 211 | C | A | -1.5429 | |
| 212 | A | A | -1.0782 | |
| 213 | T | A | -1.4511 | |
| 214 | E | A | -2.1908 | |
| 215 | N | A | -1.9663 | |
| 216 | P | A | -0.9282 | |
| 217 | C | A | 0.7621 | |
| 218 | V | A | 1.9368 | |
| 219 | Q | A | 0.8876 | |
| 220 | T | A | 0.9057 | |
| 221 | C | A | 1.2456 | |
| 222 | V | A | 0.7121 | |
| 223 | N | A | -0.3608 | |
| 224 | T | A | 0.0391 | |
| 225 | Y | A | 0.6108 | |
| 226 | G | A | 0.2553 | |
| 227 | P | A | 0.8680 | |
| 228 | F | A | 2.6253 | |
| 229 | I | A | 2.8455 | |
| 230 | C | A | 0.0000 | |
| 231 | R | A | 1.2399 | |
| 232 | C | A | 0.0000 | |
| 233 | D | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | G | A | -0.3495 | |
| 236 | Y | A | 0.0000 | |
| 237 | E | A | -0.4820 | |
| 238 | L | A | 0.0000 | |
| 239 | E | A | 0.0000 | |
| 240 | E | A | -0.8381 | |
| 241 | D | A | -2.2509 | |
| 242 | G | A | -1.2963 | |
| 243 | V | A | 0.3520 | |
| 244 | H | A | -0.9048 | |
| 245 | C | A | -0.6949 | |
| 246 | S | A | -1.0677 | |
| 247 | D | A | -1.9543 | |
| 248 | M | A | -0.9336 | |
| 249 | D | A | -0.2557 | |
| 250 | E | A | -0.3660 | |
| 251 | C | A | 0.0000 | |
| 252 | S | A | -0.1230 | |
| 253 | F | A | 0.1572 | |
| 254 | S | A | 0.0000 | |
| 255 | E | A | -0.4171 | |
| 256 | F | A | 0.0991 | |
| 257 | L | A | 0.2674 | |
| 258 | C | A | 0.2837 | |
| 259 | Q | A | -0.6040 | |
| 260 | H | A | 0.0000 | |
| 261 | E | A | -1.2581 | |
| 262 | C | A | 0.0000 | |
| 263 | V | A | 0.0345 | |
| 264 | N | A | 0.0000 | |
| 265 | Q | A | -0.7875 | |
| 266 | P | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | T | A | -0.6180 | |
| 269 | Y | A | 0.0000 | |
| 270 | F | A | 0.8421 | |
| 271 | C | A | 0.0000 | |
| 272 | S | A | 0.3085 | |
| 273 | C | A | 0.1216 | |
| 274 | P | A | 0.0000 | |
| 275 | P | A | -0.6039 | |
| 276 | G | A | 0.0000 | |
| 277 | Y | A | -0.3799 | |
| 278 | I | A | 0.0000 | |
| 279 | L | A | -0.4564 | |
| 280 | L | A | -0.8519 | |
| 281 | D | A | -0.7977 | |
| 282 | D | A | -1.2651 | |
| 283 | N | A | -2.0930 | |
| 284 | R | A | -1.9226 | |
| 285 | S | A | -1.6963 | |
| 286 | C | A | -1.7696 | |
| 287 | Q | A | -2.3535 | |
| 288 | D | A | -2.2193 | |
| 289 | I | A | -1.2918 | |
| 290 | N | A | -1.8313 | |
| 291 | E | A | -1.5193 | |
| 292 | C | A | -1.2288 | |
| 293 | E | A | -2.3215 | |
| 294 | H | A | -1.8869 | |
| 295 | R | A | 0.0000 | |
| 296 | N | A | -1.2204 | |
| 297 | H | A | -1.5224 | |
| 298 | T | A | -0.8550 | |
| 299 | C | A | 0.0000 | |
| 300 | N | A | -0.1716 | |
| 301 | L | A | 0.4973 | |
| 302 | Q | A | 0.0000 | |
| 303 | Q | A | 0.0000 | |
| 304 | T | A | -0.1919 | |
| 305 | C | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | N | A | 0.0000 | |
| 308 | L | A | 0.1296 | |
| 309 | Q | A | 0.1294 | |
| 310 | G | A | 0.0196 | |
| 311 | G | A | 0.3184 | |
| 312 | F | A | 0.0000 | |
| 313 | K | A | 0.1405 | |
| 314 | C | A | 0.6700 | |
| 315 | I | A | 0.2334 | |
| 316 | D | A | -0.4639 | |
| 317 | P | A | -0.2551 | |
| 318 | I | A | 0.3130 | |
| 319 | R | A | -0.3097 | |
| 320 | C | A | 0.0000 | |
| 321 | E | A | -0.2474 | |
| 322 | E | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | L | A | 0.5609 | |
| 326 | R | A | 0.0000 | |
| 327 | I | A | 0.8503 | |
| 328 | S | A | -0.7015 | |
| 329 | D | A | -2.2616 | |
| 330 | N | A | -2.3181 | |
| 331 | R | A | -1.3734 | |
| 332 | C | A | 0.1182 | |
| 333 | M | A | 0.9396 | |
| 334 | C | A | 0.6776 | |
| 335 | P | A | -0.0775 | |
| 336 | A | A | -0.5504 | |
| 337 | E | A | -1.9379 | |
| 338 | N | A | -1.6974 | |
| 339 | P | A | -0.6636 | |
| 340 | G | A | -0.4699 | |
| 341 | C | A | 0.0000 | |
| 342 | R | A | 0.0000 | |
| 343 | D | A | 0.0000 | |
| 344 | Q | A | 0.0000 | |
| 345 | P | A | 0.7191 | |
| 346 | F | A | 1.7192 | |
| 347 | T | A | 1.6545 | |
| 348 | I | A | 1.7520 | |
| 349 | L | A | 1.6398 | |
| 350 | Y | A | 1.1831 | |
| 351 | R | A | 0.0000 | |
| 352 | D | A | -0.9195 | |
| 353 | M | A | -0.3366 | |
| 354 | D | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | S | A | -0.4881 | |
| 358 | G | A | -0.5922 | |
| 359 | R | A | -1.5896 | |
| 360 | S | A | -0.3123 | |
| 361 | V | A | 0.7092 | |
| 362 | P | A | -0.3677 | |
| 363 | A | A | -0.1734 | |
| 364 | D | A | -0.0928 | |
| 365 | I | A | 0.5321 | |
| 366 | F | A | 1.1263 | |
| 367 | Q | A | -0.5500 | |
| 368 | M | A | -0.1104 | |
| 369 | Q | A | -1.0353 | |
| 370 | A | A | -0.2980 | |
| 371 | T | A | 0.0370 | |
| 372 | T | A | 0.1859 | |
| 373 | R | A | 0.0000 | |
| 374 | Y | A | 1.3455 | |
| 375 | P | A | 0.4951 | |
| 376 | G | A | 0.3688 | |
| 377 | A | A | 0.8104 | |
| 378 | Y | A | 1.8056 | |
| 379 | Y | A | 0.0000 | |
| 380 | I | A | 1.1166 | |
| 381 | F | A | -0.0494 | |
| 382 | Q | A | -0.5368 | |
| 383 | I | A | -0.5336 | |
| 384 | K | A | -2.3183 | |
| 385 | S | A | -1.5743 | |
| 386 | G | A | -1.7492 | |
| 387 | N | A | -2.7299 | |
| 388 | E | A | -3.0115 | |
| 389 | G | A | -2.4101 | |
| 390 | R | A | -2.2534 | |
| 391 | E | A | -1.5417 | |
| 392 | F | A | 0.0000 | |
| 393 | Y | A | 0.4288 | |
| 394 | M | A | 0.0000 | |
| 395 | R | A | 0.8253 | |
| 396 | Q | A | 0.0000 | |
| 397 | T | A | 0.3952 | |
| 398 | G | A | -0.1141 | |
| 399 | P | A | -0.9530 | |
| 400 | I | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | T | A | 0.7691 | |
| 404 | L | A | 1.1681 | |
| 405 | V | A | 0.0000 | |
| 406 | M | A | 0.7101 | |
| 407 | T | A | 0.1735 | |
| 408 | R | A | -0.4445 | |
| 409 | P | A | -0.8208 | |
| 410 | I | A | -1.1550 | |
| 411 | K | A | -2.3596 | |
| 412 | G | A | -1.6140 | |
| 413 | P | A | -1.5951 | |
| 414 | R | A | -2.7129 | |
| 415 | E | A | -2.0437 | |
| 416 | I | A | 0.0000 | |
| 417 | Q | A | -1.5425 | |
| 418 | L | A | 0.0000 | |
| 419 | D | A | -1.0475 | |
| 420 | L | A | -0.2032 | |
| 421 | E | A | -1.1616 | |
| 422 | M | A | -0.5097 | |
| 423 | I | A | -0.0840 | |
| 424 | T | A | 0.0803 | |
| 425 | V | A | 0.0000 | |
| 426 | N | A | -0.8641 | |
| 427 | T | A | 0.4366 | |
| 428 | V | A | 1.5042 | |
| 429 | I | A | 2.1588 | |
| 430 | N | A | 0.7459 | |
| 431 | F | A | 1.3715 | |
| 432 | R | A | -1.1144 | |
| 433 | G | A | -1.1582 | |
| 434 | S | A | -0.8964 | |
| 435 | S | A | -0.2446 | |
| 436 | V | A | -0.1245 | |
| 437 | I | A | 0.0000 | |
| 438 | R | A | 0.0818 | |
| 439 | L | A | 0.3752 | |
| 440 | R | A | 0.4729 | |
| 441 | I | A | 0.6504 | |
| 442 | Y | A | 0.7312 | |
| 443 | V | A | 0.3105 | |
| 444 | S | A | 0.1256 | |
| 445 | Q | A | 0.4571 | |
| 446 | Y | A | 0.0000 | |
| 447 | P | A | 0.6679 | |
| 448 | F | A | 1.8792 |
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