| Chain sequence(s) |
A: ASPSKTSNTIRVFLPNKQRTVVNVRNGMSLHDCLMKALKVRGLQPECCAVFRLLHEHKGKKARLDWNTDAASLIGEELQVDFLDHVPLTTHNFARKTFLKLAFCDICQKFLLNGFRCQTCGYKFHEHCSTKVPTMCVDWSNIRQLLLFPNSTIGDSGVPALPSLTMRRMRESGSGSGSGSVNISGQNTMNMVKVPECRLADELGGLWENSRFTDCCLCVAGQEFQAHKAILAARSPVFSAMFEHEMEESKKNRVEINDVEPEVFKEMMCFIYTGKAPNLDKMADDLLAAADKYALERLKVMCEDALCSNLSVENAAEILILADLHSADQLKTQAVDFINYHASDVLETSGWKSMVVSHPHLVAEAYRSLASAQCPFLGPPRKRLKQS
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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:11)
[INFO] Main: Simulation completed successfully. (00:08:15)
|
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 | A | A | -0.1492 | |
| 2 | S | A | -0.6129 | |
| 3 | P | A | -0.9469 | |
| 4 | S | A | -1.2626 | |
| 5 | K | A | -2.1389 | |
| 6 | T | A | -1.3463 | |
| 7 | S | A | -1.4375 | |
| 8 | N | A | -2.0420 | |
| 9 | T | A | -1.1725 | |
| 10 | I | A | 0.0000 | |
| 11 | R | A | -1.0843 | |
| 12 | V | A | 0.0000 | |
| 13 | F | A | -0.8229 | |
| 14 | L | A | 0.0000 | |
| 15 | P | A | -1.1215 | |
| 16 | N | A | -1.5067 | |
| 17 | K | A | -2.3977 | |
| 18 | Q | A | -2.1499 | |
| 19 | R | A | -2.1070 | |
| 20 | T | A | -0.3096 | |
| 21 | V | A | 0.5402 | |
| 22 | V | A | -0.4052 | |
| 23 | N | A | -1.5801 | |
| 24 | V | A | 0.0000 | |
| 25 | R | A | -3.1598 | |
| 26 | N | A | -2.6756 | |
| 27 | G | A | -1.8916 | |
| 28 | M | A | -1.9612 | |
| 29 | S | A | -2.0381 | |
| 30 | L | A | 0.0000 | |
| 31 | H | A | -1.5999 | |
| 32 | D | A | -1.9175 | |
| 33 | C | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | M | A | -1.3233 | |
| 36 | K | A | -1.9866 | |
| 37 | A | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | K | A | -1.8609 | |
| 40 | V | A | 0.0075 | |
| 41 | R | A | -0.8615 | |
| 42 | G | A | -1.0814 | |
| 43 | L | A | 0.0000 | |
| 44 | Q | A | -1.3893 | |
| 45 | P | A | -1.2138 | |
| 46 | E | A | -1.4272 | |
| 47 | C | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | F | A | -1.6378 | |
| 52 | R | A | -1.8027 | |
| 53 | L | A | -1.9905 | |
| 54 | L | A | -2.3009 | |
| 55 | H | A | -2.9864 | |
| 56 | E | A | -3.3273 | |
| 57 | H | A | -3.6231 | |
| 58 | K | A | -3.5500 | |
| 59 | G | A | -2.8520 | |
| 60 | K | A | -3.4847 | |
| 61 | K | A | -2.8045 | |
| 62 | A | A | -1.7564 | |
| 63 | R | A | -2.4373 | |
| 64 | L | A | -1.9638 | |
| 65 | D | A | -2.6240 | |
| 66 | W | A | -1.9141 | |
| 67 | N | A | -2.2907 | |
| 68 | T | A | -1.8831 | |
| 69 | D | A | -2.4965 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | -1.5172 | |
| 72 | S | A | -0.7205 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | -0.8598 | |
| 75 | G | A | -1.0133 | |
| 76 | E | A | -1.4099 | |
| 77 | E | A | -1.2509 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.0297 | |
| 80 | V | A | 0.0000 | |
| 81 | D | A | -0.4295 | |
| 82 | F | A | -0.5753 | |
| 83 | L | A | -0.9607 | |
| 84 | D | A | -1.9817 | |
| 85 | H | A | -1.4303 | |
| 86 | V | A | 0.0000 | |
| 87 | P | A | -0.3342 | |
| 88 | L | A | 0.3544 | |
| 89 | T | A | 0.0639 | |
| 90 | T | A | -0.1430 | |
| 91 | H | A | -0.6691 | |
| 92 | N | A | -1.3368 | |
| 93 | F | A | -0.8481 | |
| 94 | A | A | -1.4681 | |
| 95 | R | A | -2.7573 | |
| 96 | K | A | -1.9373 | |
| 97 | T | A | -0.8838 | |
| 98 | F | A | 0.0000 | |
| 99 | L | A | 0.4915 | |
| 100 | K | A | -0.3948 | |
| 101 | L | A | 1.0848 | |
| 102 | A | A | 0.0000 | |
| 103 | F | A | 0.9618 | |
| 104 | C | A | 0.0000 | |
| 105 | D | A | -0.7524 | |
| 106 | I | A | -0.4390 | |
| 107 | C | A | -0.4872 | |
| 108 | Q | A | -1.0249 | |
| 109 | K | A | -0.9661 | |
| 110 | F | A | 1.0305 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | 1.1539 | |
| 113 | N | A | -1.1726 | |
| 114 | G | A | 0.0000 | |
| 115 | F | A | -1.7227 | |
| 116 | R | A | -1.7781 | |
| 117 | C | A | 0.0000 | |
| 118 | Q | A | -1.7596 | |
| 119 | T | A | -0.9049 | |
| 120 | C | A | -0.4170 | |
| 121 | G | A | -0.6776 | |
| 122 | Y | A | -0.4313 | |
| 123 | K | A | -0.9575 | |
| 124 | F | A | 0.0000 | |
| 125 | H | A | -1.4812 | |
| 126 | E | A | -2.3757 | |
| 127 | H | A | -1.9472 | |
| 128 | C | A | -1.4115 | |
| 129 | S | A | -1.3479 | |
| 130 | T | A | -1.2791 | |
| 131 | K | A | -1.7946 | |
| 132 | V | A | -0.8443 | |
| 133 | P | A | -0.7331 | |
| 134 | T | A | -0.3813 | |
| 135 | M | A | 0.1876 | |
| 136 | C | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | D | A | -0.5171 | |
| 139 | W | A | -0.3940 | |
| 140 | S | A | -0.9681 | |
| 141 | N | A | -1.3672 | |
| 142 | I | A | 0.0000 | |
| 143 | R | A | -1.5090 | |
| 144 | Q | A | -0.9207 | |
| 145 | L | A | 0.5862 | |
| 146 | L | A | 1.1661 | |
| 147 | L | A | 2.0517 | |
| 148 | F | A | 2.1965 | |
| 149 | P | A | 0.7233 | |
| 150 | N | A | -0.5096 | |
| 151 | S | A | -0.2108 | |
| 152 | T | A | 0.3026 | |
| 153 | I | A | 1.1625 | |
| 154 | G | A | -0.4572 | |
| 155 | D | A | -1.6127 | |
| 156 | S | A | -1.0356 | |
| 157 | G | A | -0.1538 | |
| 158 | V | A | 1.3786 | |
| 159 | P | A | 0.8935 | |
| 160 | A | A | 1.0274 | |
| 161 | L | A | 1.7248 | |
| 162 | P | A | 0.7626 | |
| 163 | S | A | 0.9256 | |
| 164 | L | A | 1.5663 | |
| 165 | T | A | 0.7583 | |
| 166 | M | A | 0.1545 | |
| 167 | R | A | -2.0412 | |
| 168 | R | A | -2.7338 | |
| 169 | M | A | -1.6102 | |
| 170 | R | A | -2.9600 | |
| 171 | E | A | -2.9193 | |
| 172 | S | A | -1.7685 | |
| 173 | G | A | -1.1439 | |
| 174 | S | A | -0.7511 | |
| 175 | G | A | -0.8987 | |
| 176 | S | A | -0.8043 | |
| 177 | G | A | -0.9293 | |
| 178 | S | A | -0.6127 | |
| 179 | G | A | -0.5358 | |
| 180 | S | A | 0.2099 | |
| 181 | V | A | 1.4187 | |
| 182 | N | A | 0.3501 | |
| 183 | I | A | 1.4455 | |
| 184 | S | A | -0.0972 | |
| 185 | G | A | -1.1133 | |
| 186 | Q | A | -1.7309 | |
| 187 | N | A | -1.9021 | |
| 188 | T | A | -0.7646 | |
| 189 | M | A | 0.4058 | |
| 190 | N | A | -0.2222 | |
| 191 | M | A | 1.3817 | |
| 192 | V | A | 1.7250 | |
| 193 | K | A | -0.1574 | |
| 194 | V | A | 1.1107 | |
| 195 | P | A | -0.6057 | |
| 196 | E | A | -1.6668 | |
| 197 | C | A | -0.8531 | |
| 198 | R | A | -2.2946 | |
| 199 | L | A | -0.4259 | |
| 200 | A | A | -1.2445 | |
| 201 | D | A | -2.7204 | |
| 202 | E | A | -2.5232 | |
| 203 | L | A | -0.9742 | |
| 204 | G | A | -1.8547 | |
| 205 | G | A | -2.0956 | |
| 206 | L | A | -1.4799 | |
| 207 | W | A | -1.6985 | |
| 208 | E | A | -2.8063 | |
| 209 | N | A | -2.5205 | |
| 210 | S | A | -1.8413 | |
| 211 | R | A | -1.7445 | |
| 212 | F | A | 0.6108 | |
| 213 | T | A | -0.4758 | |
| 214 | D | A | -1.4010 | |
| 215 | C | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | C | A | -2.3301 | |
| 219 | V | A | 0.0000 | |
| 220 | A | A | -1.9613 | |
| 221 | G | A | -1.8085 | |
| 222 | Q | A | -2.3770 | |
| 223 | E | A | -2.8938 | |
| 224 | F | A | -1.7423 | |
| 225 | Q | A | -1.7424 | |
| 226 | A | A | 0.0000 | |
| 227 | H | A | 0.0000 | |
| 228 | K | A | -0.7865 | |
| 229 | A | A | -0.1629 | |
| 230 | I | A | 0.0876 | |
| 231 | L | A | 0.0000 | |
| 232 | A | A | -0.3058 | |
| 233 | A | A | -0.2142 | |
| 234 | R | A | -0.8579 | |
| 235 | S | A | 0.0000 | |
| 236 | P | A | 0.2097 | |
| 237 | V | A | 0.1799 | |
| 238 | F | A | 0.0000 | |
| 239 | S | A | -0.5007 | |
| 240 | A | A | -0.6818 | |
| 241 | M | A | -0.9297 | |
| 242 | F | A | -1.7256 | |
| 243 | E | A | -2.4750 | |
| 244 | H | A | -3.0038 | |
| 245 | E | A | -3.3572 | |
| 246 | M | A | -2.6421 | |
| 247 | E | A | -3.7885 | |
| 248 | E | A | -3.8656 | |
| 249 | S | A | -3.6192 | |
| 250 | K | A | -4.1741 | |
| 251 | K | A | -4.0146 | |
| 252 | N | A | -3.4529 | |
| 253 | R | A | -4.1871 | |
| 254 | V | A | 0.0000 | |
| 255 | E | A | -3.1937 | |
| 256 | I | A | 0.0000 | |
| 257 | N | A | -2.9191 | |
| 258 | D | A | -3.1706 | |
| 259 | V | A | 0.0000 | |
| 260 | E | A | -3.3928 | |
| 261 | P | A | -2.6163 | |
| 262 | E | A | -2.9493 | |
| 263 | V | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | K | A | -1.7963 | |
| 266 | E | A | 0.0000 | |
| 267 | M | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | C | A | -1.0230 | |
| 270 | F | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | T | A | -1.1794 | |
| 274 | G | A | -1.4859 | |
| 275 | K | A | -2.0131 | |
| 276 | A | A | 0.0000 | |
| 277 | P | A | -1.3894 | |
| 278 | N | A | -1.9427 | |
| 279 | L | A | 0.0000 | |
| 280 | D | A | -3.2119 | |
| 281 | K | A | -3.0412 | |
| 282 | M | A | -2.5114 | |
| 283 | A | A | 0.0000 | |
| 284 | D | A | -2.5704 | |
| 285 | D | A | -3.0878 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | A | A | -1.5400 | |
| 289 | A | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | D | A | -1.8790 | |
| 292 | K | A | -1.9988 | |
| 293 | Y | A | 0.0000 | |
| 294 | A | A | -1.5415 | |
| 295 | L | A | 0.0000 | |
| 296 | E | A | -3.0363 | |
| 297 | R | A | -2.5811 | |
| 298 | L | A | 0.0000 | |
| 299 | K | A | -1.8018 | |
| 300 | V | A | -1.2735 | |
| 301 | M | A | -1.2134 | |
| 302 | C | A | 0.0000 | |
| 303 | E | A | 0.0000 | |
| 304 | D | A | -2.1079 | |
| 305 | A | A | -1.7523 | |
| 306 | L | A | -1.3323 | |
| 307 | C | A | -1.1670 | |
| 308 | S | A | -1.4005 | |
| 309 | N | A | -1.6954 | |
| 310 | L | A | -0.9388 | |
| 311 | S | A | -0.7649 | |
| 312 | V | A | -1.1209 | |
| 313 | E | A | -2.4495 | |
| 314 | N | A | -1.8784 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | E | A | -2.0299 | |
| 318 | I | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | I | A | -0.0935 | |
| 321 | L | A | -0.2245 | |
| 322 | A | A | 0.0000 | |
| 323 | D | A | -0.1444 | |
| 324 | L | A | 1.2670 | |
| 325 | H | A | -0.2770 | |
| 326 | S | A | -0.2634 | |
| 327 | A | A | 0.0000 | |
| 328 | D | A | -1.6729 | |
| 329 | Q | A | -1.9090 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -1.3886 | |
| 332 | T | A | -1.6501 | |
| 333 | Q | A | -2.0214 | |
| 334 | A | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | D | A | -1.3852 | |
| 337 | F | A | -0.3222 | |
| 338 | I | A | 0.0000 | |
| 339 | N | A | 0.1823 | |
| 340 | Y | A | 0.5739 | |
| 341 | H | A | -0.4130 | |
| 342 | A | A | -0.6130 | |
| 343 | S | A | -1.1093 | |
| 344 | D | A | -2.2451 | |
| 345 | V | A | 0.0000 | |
| 346 | L | A | -1.2671 | |
| 347 | E | A | -2.5956 | |
| 348 | T | A | -2.0643 | |
| 349 | S | A | -1.5355 | |
| 350 | G | A | 0.0000 | |
| 351 | W | A | 0.0000 | |
| 352 | K | A | -1.4218 | |
| 353 | S | A | -0.5193 | |
| 354 | M | A | 0.0000 | |
| 355 | V | A | 0.9373 | |
| 356 | V | A | 1.4974 | |
| 357 | S | A | 0.4216 | |
| 358 | H | A | 0.0899 | |
| 359 | P | A | -0.1634 | |
| 360 | H | A | -0.9019 | |
| 361 | L | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | A | A | -0.9820 | |
| 364 | E | A | -1.8757 | |
| 365 | A | A | 0.0000 | |
| 366 | Y | A | -0.1580 | |
| 367 | R | A | -1.6807 | |
| 368 | S | A | -1.1557 | |
| 369 | L | A | -0.0747 | |
| 370 | A | A | -0.4754 | |
| 371 | S | A | -0.5013 | |
| 372 | A | A | -0.5235 | |
| 373 | Q | A | -0.3765 | |
| 374 | C | A | 0.9691 | |
| 375 | P | A | 1.0632 | |
| 376 | F | A | 2.5333 | |
| 377 | L | A | 2.2681 | |
| 378 | G | A | 0.6416 | |
| 379 | P | A | -0.6006 | |
| 380 | P | A | -1.8051 | |
| 381 | R | A | -3.1639 | |
| 382 | K | A | -3.4129 | |
| 383 | R | A | -3.1004 | |
| 384 | L | A | -1.3077 | |
| 385 | K | A | -2.3546 | |
| 386 | Q | A | -1.9487 | |
| 387 | S | A | -1.0592 |
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