| Chain sequence(s) |
A: MAATTMKASFPLLMLMGISFLASVCVSSRSDPQNPFIFKSNKFQTMFFENENGHRLLQKFDQRSKIFENLQNYRLLEYKSKPHTIFLPQHTDADYILVVLSGKAILTVLKPDDRNSFNLERGDTIKLPAGTIAYLVNRDDNEELRVLDLAIPVNRPGQLQSFLLSGNQNQQNYLSGFSKNILEASFNTDYEEIEKVLLEEHEKETQHRRSMKDKRQQSQEENVIVKLSRGQIEELSKNAKSTSKKSVSSESEPFNLRSRGPIYSNEFGKFFEITPEKNPQLQDLDIFVNSVEIKEGSLLLPHYNSRAIVIVTVNEGKGDFELVGQRNENQQEQRKEDDEEEEQGEEEINKQVQNYKAKLSSGDVFVIPAGHPVAVKASSNLDLLGFGINAENNQRNFLAGDEDNVISQIQRPVKEMAFPGSAQEVDRILENQKQSHFADAQPQQRERGSR
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:10)
[INFO] Main: Simulation completed successfully. (00:13:14)
|
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 | 1.0940 | |
| 2 | A | A | 0.5754 | |
| 3 | A | A | 0.2634 | |
| 4 | T | A | -0.0250 | |
| 5 | T | A | 0.0348 | |
| 6 | M | A | 0.1504 | |
| 7 | K | A | -1.0158 | |
| 8 | A | A | -0.1743 | |
| 9 | S | A | 0.5736 | |
| 10 | F | A | 2.2163 | |
| 11 | P | A | 2.0375 | |
| 12 | L | A | 3.2026 | |
| 13 | L | A | 3.5575 | |
| 14 | M | A | 3.1459 | |
| 15 | L | A | 3.3184 | |
| 16 | M | A | 2.5132 | |
| 17 | G | A | 1.9048 | |
| 18 | I | A | 2.7192 | |
| 19 | S | A | 2.0935 | |
| 20 | F | A | 2.8737 | |
| 21 | L | A | 2.8654 | |
| 22 | A | A | 1.6587 | |
| 23 | S | A | 1.7166 | |
| 24 | V | A | 2.8084 | |
| 25 | C | A | 2.3808 | |
| 26 | V | A | 2.2679 | |
| 27 | S | A | 0.5002 | |
| 28 | S | A | -1.0814 | |
| 29 | R | A | -2.6066 | |
| 30 | S | A | -2.6665 | |
| 31 | D | A | -3.0895 | |
| 32 | P | A | -2.1907 | |
| 33 | Q | A | -2.0128 | |
| 34 | N | A | -1.7597 | |
| 35 | P | A | -0.5096 | |
| 36 | F | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | K | A | -2.4776 | |
| 40 | S | A | -1.8053 | |
| 41 | N | A | -2.3116 | |
| 42 | K | A | -2.1022 | |
| 43 | F | A | 0.0000 | |
| 44 | Q | A | -2.0743 | |
| 45 | T | A | -1.7448 | |
| 46 | M | A | -0.1043 | |
| 47 | F | A | 0.5612 | |
| 48 | F | A | -0.0444 | |
| 49 | E | A | -1.8878 | |
| 50 | N | A | -2.2523 | |
| 51 | E | A | -3.2108 | |
| 52 | N | A | -2.7983 | |
| 53 | G | A | -1.5864 | |
| 54 | H | A | 0.0000 | |
| 55 | R | A | -1.2255 | |
| 56 | L | A | -0.5376 | |
| 57 | L | A | 0.0000 | |
| 58 | Q | A | -1.6724 | |
| 59 | K | A | -1.6327 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | -2.2499 | |
| 62 | Q | A | -2.2426 | |
| 63 | R | A | -1.8740 | |
| 64 | S | A | -1.2270 | |
| 65 | K | A | -1.8530 | |
| 66 | I | A | 0.3273 | |
| 67 | F | A | 0.0000 | |
| 68 | E | A | -2.4552 | |
| 69 | N | A | -1.9789 | |
| 70 | L | A | 0.0000 | |
| 71 | Q | A | -2.1625 | |
| 72 | N | A | -1.1787 | |
| 73 | Y | A | -0.4593 | |
| 74 | R | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | -0.0483 | |
| 77 | E | A | 0.0000 | |
| 78 | Y | A | 0.0000 | |
| 79 | K | A | -2.1130 | |
| 80 | S | A | 0.0000 | |
| 81 | K | A | -3.0890 | |
| 82 | P | A | -2.6642 | |
| 83 | H | A | -2.4618 | |
| 84 | T | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.4512 | |
| 87 | L | A | 0.6988 | |
| 88 | P | A | 0.5243 | |
| 89 | Q | A | 0.4500 | |
| 90 | H | A | 0.2071 | |
| 91 | T | A | 0.0203 | |
| 92 | D | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | D | A | 0.1499 | |
| 95 | Y | A | 0.0699 | |
| 96 | I | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | S | A | -1.7735 | |
| 102 | G | A | 0.0000 | |
| 103 | K | A | -2.5132 | |
| 104 | A | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | -1.5990 | |
| 110 | K | A | -2.7935 | |
| 111 | P | A | -2.3015 | |
| 112 | D | A | -3.4225 | |
| 113 | D | A | -4.0101 | |
| 114 | R | A | -3.5616 | |
| 115 | N | A | -2.3173 | |
| 116 | S | A | 0.0000 | |
| 117 | F | A | 0.0000 | |
| 118 | N | A | -1.6301 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -3.0010 | |
| 121 | R | A | -2.8121 | |
| 122 | G | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | K | A | -0.7746 | |
| 127 | L | A | -0.1326 | |
| 128 | P | A | -0.2243 | |
| 129 | A | A | 0.1744 | |
| 130 | G | A | 0.0240 | |
| 131 | T | A | -0.1085 | |
| 132 | I | A | 0.2645 | |
| 133 | A | A | 0.0520 | |
| 134 | Y | A | 0.4734 | |
| 135 | L | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | R | A | -2.6251 | |
| 139 | D | A | -2.6309 | |
| 140 | D | A | -3.0232 | |
| 141 | N | A | -2.8146 | |
| 142 | E | A | -2.6149 | |
| 143 | E | A | -2.6501 | |
| 144 | L | A | 0.0000 | |
| 145 | R | A | -1.5605 | |
| 146 | V | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | I | A | 0.0961 | |
| 152 | P | A | 0.0000 | |
| 153 | V | A | 0.6613 | |
| 154 | N | A | -1.0662 | |
| 155 | R | A | -1.4746 | |
| 156 | P | A | -1.0556 | |
| 157 | G | A | 0.0000 | |
| 158 | Q | A | -1.4446 | |
| 159 | L | A | -0.6931 | |
| 160 | Q | A | -0.7895 | |
| 161 | S | A | -0.1349 | |
| 162 | F | A | 0.3625 | |
| 163 | L | A | 0.3397 | |
| 164 | L | A | 0.8600 | |
| 165 | S | A | -0.0737 | |
| 166 | G | A | -1.3102 | |
| 167 | N | A | -2.5975 | |
| 168 | Q | A | -2.7731 | |
| 169 | N | A | -2.2243 | |
| 170 | Q | A | -1.9954 | |
| 171 | Q | A | -2.1098 | |
| 172 | N | A | 0.0000 | |
| 173 | Y | A | 1.2004 | |
| 174 | L | A | 0.8944 | |
| 175 | S | A | 0.1065 | |
| 176 | G | A | 0.1610 | |
| 177 | F | A | 1.1271 | |
| 178 | S | A | -0.2209 | |
| 179 | K | A | -2.1387 | |
| 180 | N | A | -1.4096 | |
| 181 | I | A | 0.8865 | |
| 182 | L | A | 0.0000 | |
| 183 | E | A | -2.0424 | |
| 184 | A | A | -0.6652 | |
| 185 | S | A | -0.1531 | |
| 186 | F | A | -0.1843 | |
| 187 | N | A | -1.2398 | |
| 188 | T | A | -2.0947 | |
| 189 | D | A | -3.6385 | |
| 190 | Y | A | -3.0780 | |
| 191 | E | A | -3.9264 | |
| 192 | E | A | -3.4174 | |
| 193 | I | A | 0.0000 | |
| 194 | E | A | -2.5627 | |
| 195 | K | A | -2.4670 | |
| 196 | V | A | 0.0663 | |
| 197 | L | A | 0.4443 | |
| 198 | L | A | -0.7913 | |
| 199 | E | A | -2.5945 | |
| 200 | E | A | -3.3730 | |
| 201 | H | A | -3.0890 | |
| 202 | E | A | -3.7311 | |
| 203 | K | A | -3.9635 | |
| 204 | E | A | -4.0190 | |
| 205 | T | A | -3.1234 | |
| 206 | Q | A | -3.5570 | |
| 207 | H | A | -3.4885 | |
| 208 | R | A | -3.6919 | |
| 209 | R | A | -3.4604 | |
| 210 | S | A | -2.4533 | |
| 211 | M | A | -1.3852 | |
| 212 | K | A | -3.1220 | |
| 213 | D | A | -4.4553 | |
| 214 | K | A | -4.3672 | |
| 215 | R | A | -4.3940 | |
| 216 | Q | A | -3.7908 | |
| 217 | Q | A | -3.6687 | |
| 218 | S | A | -2.9708 | |
| 219 | Q | A | -3.0748 | |
| 220 | E | A | -3.4350 | |
| 221 | E | A | -2.4067 | |
| 222 | N | A | -1.3401 | |
| 223 | V | A | 0.0000 | |
| 224 | I | A | -0.3694 | |
| 225 | V | A | -1.1913 | |
| 226 | K | A | -2.3608 | |
| 227 | L | A | -1.4007 | |
| 228 | S | A | -2.2722 | |
| 229 | R | A | -3.5395 | |
| 230 | G | A | -2.6772 | |
| 231 | Q | A | -2.8169 | |
| 232 | I | A | 0.0000 | |
| 233 | E | A | -4.1844 | |
| 234 | E | A | -3.9244 | |
| 235 | L | A | -2.4978 | |
| 236 | S | A | -2.7802 | |
| 237 | K | A | -3.4367 | |
| 238 | N | A | -3.1156 | |
| 239 | A | A | -2.0334 | |
| 240 | K | A | -2.0868 | |
| 241 | S | A | -1.4111 | |
| 242 | T | A | -1.5973 | |
| 243 | S | A | -1.8391 | |
| 244 | K | A | -3.0185 | |
| 245 | K | A | -2.7155 | |
| 246 | S | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | S | A | -1.9769 | |
| 249 | S | A | -1.8279 | |
| 250 | E | A | -2.5993 | |
| 251 | S | A | -1.6505 | |
| 252 | E | A | -1.9497 | |
| 253 | P | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | N | A | -1.5322 | |
| 256 | L | A | 0.0000 | |
| 257 | R | A | -1.7043 | |
| 258 | S | A | -1.9720 | |
| 259 | R | A | -2.3456 | |
| 260 | G | A | -1.3122 | |
| 261 | P | A | -0.6185 | |
| 262 | I | A | 0.5367 | |
| 263 | Y | A | 0.0969 | |
| 264 | S | A | -0.9949 | |
| 265 | N | A | -1.5383 | |
| 266 | E | A | -2.3810 | |
| 267 | F | A | -2.0122 | |
| 268 | G | A | 0.0000 | |
| 269 | K | A | -1.7616 | |
| 270 | F | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | E | A | -0.4627 | |
| 273 | I | A | 0.0000 | |
| 274 | T | A | -1.7449 | |
| 275 | P | A | 0.0000 | |
| 276 | E | A | -3.2143 | |
| 277 | K | A | -2.3728 | |
| 278 | N | A | 0.0000 | |
| 279 | P | A | -2.3450 | |
| 280 | Q | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | Q | A | -3.2780 | |
| 283 | D | A | -2.6523 | |
| 284 | L | A | -1.5405 | |
| 285 | D | A | -2.2965 | |
| 286 | I | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | E | A | -2.3696 | |
| 293 | I | A | 0.0000 | |
| 294 | K | A | -3.7225 | |
| 295 | E | A | -3.6626 | |
| 296 | G | A | -2.2252 | |
| 297 | S | A | 0.0000 | |
| 298 | L | A | -0.9192 | |
| 299 | L | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | 0.0357 | |
| 302 | H | A | 0.0000 | |
| 303 | Y | A | -0.2273 | |
| 304 | N | A | 0.0000 | |
| 305 | S | A | -1.5515 | |
| 306 | R | A | -2.1833 | |
| 307 | A | A | 0.0000 | |
| 308 | I | A | -0.4845 | |
| 309 | V | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | N | A | 0.0000 | |
| 315 | E | A | -2.6410 | |
| 316 | G | A | -2.7191 | |
| 317 | K | A | -3.0257 | |
| 318 | G | A | 0.0000 | |
| 319 | D | A | -2.3466 | |
| 320 | F | A | 0.0000 | |
| 321 | E | A | -1.6949 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | -0.1892 | |
| 324 | G | A | 0.0000 | |
| 325 | Q | A | -2.4442 | |
| 326 | R | A | -3.2680 | |
| 327 | N | A | -3.3803 | |
| 328 | E | A | -4.0654 | |
| 329 | N | A | -3.7235 | |
| 330 | Q | A | -4.1919 | |
| 331 | Q | A | -4.4317 | |
| 332 | E | A | -5.0267 | |
| 333 | Q | A | -4.7885 | |
| 334 | R | A | -4.8303 | |
| 335 | K | A | -4.9709 | |
| 336 | E | A | -5.0536 | |
| 337 | D | A | -4.6228 | |
| 338 | D | A | -4.8215 | |
| 339 | E | A | -4.8159 | |
| 340 | E | A | -4.5790 | |
| 341 | E | A | -4.6268 | |
| 342 | E | A | -4.2720 | |
| 343 | Q | A | -3.8788 | |
| 344 | G | A | -3.4412 | |
| 345 | E | A | -3.7309 | |
| 346 | E | A | -3.6215 | |
| 347 | E | A | -2.7969 | |
| 348 | I | A | -1.2488 | |
| 349 | N | A | -2.1146 | |
| 350 | K | A | -2.9364 | |
| 351 | Q | A | -1.3383 | |
| 352 | V | A | 0.0718 | |
| 353 | Q | A | 0.0000 | |
| 354 | N | A | -0.8217 | |
| 355 | Y | A | -1.3324 | |
| 356 | K | A | -2.8580 | |
| 357 | A | A | -2.0648 | |
| 358 | K | A | -2.9475 | |
| 359 | L | A | 0.0000 | |
| 360 | S | A | -1.7442 | |
| 361 | S | A | -1.3524 | |
| 362 | G | A | 0.0000 | |
| 363 | D | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | P | A | -0.0396 | |
| 369 | A | A | -0.6927 | |
| 370 | G | A | -0.6235 | |
| 371 | H | A | -0.3908 | |
| 372 | P | A | -0.0127 | |
| 373 | V | A | 0.0000 | |
| 374 | A | A | -0.5102 | |
| 375 | V | A | 0.0000 | |
| 376 | K | A | -1.8402 | |
| 377 | A | A | 0.0000 | |
| 378 | S | A | -2.3161 | |
| 379 | S | A | -2.7810 | |
| 380 | N | A | -3.6336 | |
| 381 | L | A | 0.0000 | |
| 382 | D | A | -2.0980 | |
| 383 | L | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | G | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | N | A | -1.7107 | |
| 390 | A | A | 0.0000 | |
| 391 | E | A | -3.2680 | |
| 392 | N | A | -2.9895 | |
| 393 | N | A | -2.4538 | |
| 394 | Q | A | -2.1575 | |
| 395 | R | A | -1.1188 | |
| 396 | N | A | -0.5742 | |
| 397 | F | A | 0.0000 | |
| 398 | L | A | -0.0045 | |
| 399 | A | A | -1.1787 | |
| 400 | G | A | 0.0000 | |
| 401 | D | A | -4.2428 | |
| 402 | E | A | -3.5326 | |
| 403 | D | A | -2.5067 | |
| 404 | N | A | 0.0000 | |
| 405 | V | A | -0.0881 | |
| 406 | I | A | 0.2062 | |
| 407 | S | A | -1.4041 | |
| 408 | Q | A | -1.3706 | |
| 409 | I | A | -0.7909 | |
| 410 | Q | A | -2.0560 | |
| 411 | R | A | -2.7797 | |
| 412 | P | A | -1.2531 | |
| 413 | V | A | -0.0922 | |
| 414 | K | A | 0.0000 | |
| 415 | E | A | -1.8658 | |
| 416 | M | A | 0.3241 | |
| 417 | A | A | 0.3537 | |
| 418 | F | A | 0.2192 | |
| 419 | P | A | -0.2110 | |
| 420 | G | A | -0.9880 | |
| 421 | S | A | -1.9365 | |
| 422 | A | A | 0.0000 | |
| 423 | Q | A | -2.7187 | |
| 424 | E | A | -2.4885 | |
| 425 | V | A | 0.0000 | |
| 426 | D | A | -2.1743 | |
| 427 | R | A | -2.6686 | |
| 428 | I | A | -0.4058 | |
| 429 | L | A | -1.5735 | |
| 430 | E | A | -3.4915 | |
| 431 | N | A | -2.8309 | |
| 432 | Q | A | -2.9884 | |
| 433 | K | A | -3.5920 | |
| 434 | Q | A | -2.7965 | |
| 435 | S | A | -2.1910 | |
| 436 | H | A | -0.9896 | |
| 437 | F | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | D | A | -1.5726 | |
| 440 | A | A | 0.0000 | |
| 441 | Q | A | -2.4377 | |
| 442 | P | A | -2.6287 | |
| 443 | Q | A | -3.8350 | |
| 444 | Q | A | -4.3154 | |
| 445 | R | A | -4.9339 | |
| 446 | E | A | -4.9339 | |
| 447 | R | A | -4.7949 | |
| 448 | G | A | -3.5946 | |
| 449 | S | A | -3.1222 | |
| 450 | R | A | -3.4202 |
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