| Chain sequence(s) |
A: MNFLLSWVHWSLALLLYLHHAKWSQARRRRRRRRPLGLAGITMQIMRIKPHQGQHIGEMSFRARQENPCGPCSERRKHLFVQDPQTCKCSCKNTDSRCKARQLELNERTCRCDKPRRGQCREPQVYTSPPSRDELTKNQVSLRCHVKGFYPSDIAVEWESNGQPENNYKTTKPVLDSDGSFRLASYLTVDKSRWQQGNVFSCSVMHECQHNHYTQKSLSLSPGKGAGGGGGSGGGGSGGGGSGAGGQCREPQVYTSPPSRDELTKNQVSLRCHVKGFYPSDIAVEWESNGQPENNYKTTKPVLDSDGSFRLASYLTVDKSRWQQGNVFSCSVMHECQHNHYTQKSLSLSPGKITMQIMRIKPHQGQHIGEMSF
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 (00:09:38)
[INFO] Main: Simulation completed successfully. (00:09:42)
|
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 | 1.5008 | |
| 2 | N | A | 0.9459 | |
| 3 | F | A | 3.0266 | |
| 4 | L | A | 3.3769 | |
| 5 | L | A | 2.8198 | |
| 6 | S | A | 2.1117 | |
| 7 | W | A | 3.2343 | |
| 8 | V | A | 3.4037 | |
| 9 | H | A | 1.7255 | |
| 10 | W | A | 2.4537 | |
| 11 | S | A | 2.4796 | |
| 12 | L | A | 3.2795 | |
| 13 | A | A | 2.6572 | |
| 14 | L | A | 2.4774 | |
| 15 | L | A | 2.8288 | |
| 16 | L | A | 2.7601 | |
| 17 | Y | A | 2.2254 | |
| 18 | L | A | 0.9695 | |
| 19 | H | A | -0.2458 | |
| 20 | H | A | -0.5975 | |
| 21 | A | A | -0.7278 | |
| 22 | K | A | -2.1802 | |
| 23 | W | A | -1.2645 | |
| 24 | S | A | -2.2608 | |
| 25 | Q | A | -3.4871 | |
| 26 | A | A | -3.4719 | |
| 27 | R | A | -4.8164 | |
| 28 | R | A | -5.3140 | |
| 29 | R | A | -5.8935 | |
| 30 | R | A | -6.1408 | |
| 31 | R | A | -5.9430 | |
| 32 | R | A | -5.7340 | |
| 33 | R | A | -4.8102 | |
| 34 | R | A | -3.5431 | |
| 35 | P | A | -1.0555 | |
| 36 | L | A | 0.9320 | |
| 37 | G | A | 0.6837 | |
| 38 | L | A | 1.8521 | |
| 39 | A | A | 1.1744 | |
| 40 | G | A | 1.0185 | |
| 41 | I | A | 2.1033 | |
| 42 | T | A | 1.2078 | |
| 43 | M | A | 1.5999 | |
| 44 | Q | A | 0.5806 | |
| 45 | I | A | 1.9858 | |
| 46 | M | A | 1.2984 | |
| 47 | R | A | -0.4225 | |
| 48 | I | A | 0.6433 | |
| 49 | K | A | -1.5677 | |
| 50 | P | A | -1.6463 | |
| 51 | H | A | -2.1000 | |
| 52 | Q | A | -2.5501 | |
| 53 | G | A | -1.9481 | |
| 54 | Q | A | -1.8400 | |
| 55 | H | A | -1.1967 | |
| 56 | I | A | 0.6124 | |
| 57 | G | A | -0.5330 | |
| 58 | E | A | -0.9364 | |
| 59 | M | A | 0.5223 | |
| 60 | S | A | 0.1650 | |
| 61 | F | A | 0.7460 | |
| 62 | R | A | -1.4669 | |
| 63 | A | A | -1.8086 | |
| 64 | R | A | -3.3301 | |
| 65 | Q | A | -3.6285 | |
| 66 | E | A | -3.6327 | |
| 67 | N | A | -3.1183 | |
| 68 | P | A | -1.8182 | |
| 69 | C | A | -1.4947 | |
| 70 | G | A | -1.1120 | |
| 71 | P | A | -1.3982 | |
| 72 | C | A | -1.1380 | |
| 73 | S | A | -2.2715 | |
| 74 | E | A | -3.5078 | |
| 75 | R | A | -3.5607 | |
| 76 | R | A | -3.1601 | |
| 77 | K | A | -3.2758 | |
| 78 | H | A | -2.2815 | |
| 79 | L | A | -1.7478 | |
| 80 | F | A | -0.7526 | |
| 81 | V | A | -0.0943 | |
| 82 | Q | A | -1.0637 | |
| 83 | D | A | -1.6680 | |
| 84 | P | A | -1.6757 | |
| 85 | Q | A | -2.0351 | |
| 86 | T | A | -1.4295 | |
| 87 | C | A | -1.4320 | |
| 88 | K | A | -1.8578 | |
| 89 | C | A | -0.5516 | |
| 90 | S | A | -0.9068 | |
| 91 | C | A | -1.5848 | |
| 92 | K | A | -2.2292 | |
| 93 | N | A | -2.4495 | |
| 94 | T | A | -2.8554 | |
| 95 | D | A | -3.5693 | |
| 96 | S | A | -2.9620 | |
| 97 | R | A | -3.7988 | |
| 98 | C | A | 0.0000 | |
| 99 | K | A | -4.0919 | |
| 100 | A | A | -2.9400 | |
| 101 | R | A | -3.6375 | |
| 102 | Q | A | -3.5359 | |
| 103 | L | A | -3.6659 | |
| 104 | E | A | -3.7416 | |
| 105 | L | A | -3.0185 | |
| 106 | N | A | -3.0412 | |
| 107 | E | A | -3.4554 | |
| 108 | R | A | -3.0484 | |
| 109 | T | A | -2.1167 | |
| 110 | C | A | 0.0000 | |
| 111 | R | A | -3.2700 | |
| 112 | C | A | -3.0730 | |
| 113 | D | A | -2.5610 | |
| 114 | K | A | -3.8552 | |
| 115 | P | A | -3.3152 | |
| 116 | R | A | -3.7236 | |
| 117 | R | A | -3.5094 | |
| 118 | G | A | -2.1984 | |
| 119 | Q | A | -1.9605 | |
| 120 | C | A | -1.2003 | |
| 121 | R | A | -1.7570 | |
| 122 | E | A | -2.6789 | |
| 123 | P | A | 0.0000 | |
| 124 | Q | A | -1.2505 | |
| 125 | V | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | P | A | -0.3867 | |
| 130 | P | A | -0.9582 | |
| 131 | S | A | -1.7095 | |
| 132 | R | A | -2.9927 | |
| 133 | D | A | -3.1476 | |
| 134 | E | A | -2.7740 | |
| 135 | L | A | -2.1996 | |
| 136 | T | A | -2.1501 | |
| 137 | K | A | -3.4146 | |
| 138 | N | A | -3.1289 | |
| 139 | Q | A | -3.0540 | |
| 140 | V | A | 0.0000 | |
| 141 | S | A | -0.4945 | |
| 142 | L | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | H | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -0.6201 | |
| 148 | G | A | -1.0518 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | -1.2653 | |
| 151 | P | A | -1.3819 | |
| 152 | S | A | -0.9097 | |
| 153 | D | A | -2.0514 | |
| 154 | I | A | -1.0444 | |
| 155 | A | A | -0.4347 | |
| 156 | V | A | 0.0000 | |
| 157 | E | A | -1.6053 | |
| 158 | W | A | 0.0000 | |
| 159 | E | A | -1.8444 | |
| 160 | S | A | 0.0000 | |
| 161 | N | A | -1.7859 | |
| 162 | G | A | -1.7386 | |
| 163 | Q | A | -2.2615 | |
| 164 | P | A | -2.0212 | |
| 165 | E | A | 0.0000 | |
| 166 | N | A | -2.4905 | |
| 167 | N | A | -2.1391 | |
| 168 | Y | A | -1.7230 | |
| 169 | K | A | -2.2846 | |
| 170 | T | A | -1.3212 | |
| 171 | T | A | -1.0941 | |
| 172 | K | A | -1.6145 | |
| 173 | P | A | -0.2893 | |
| 174 | V | A | 1.1067 | |
| 175 | L | A | 1.0577 | |
| 176 | D | A | -0.1734 | |
| 177 | S | A | -0.6498 | |
| 178 | D | A | -1.9337 | |
| 179 | G | A | -1.4392 | |
| 180 | S | A | 0.0000 | |
| 181 | F | A | 0.0555 | |
| 182 | R | A | -0.0152 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | Y | A | -0.6918 | |
| 187 | L | A | 0.0000 | |
| 188 | T | A | -1.3155 | |
| 189 | V | A | 0.0000 | |
| 190 | D | A | -2.9363 | |
| 191 | K | A | -2.8979 | |
| 192 | S | A | -2.2337 | |
| 193 | R | A | -1.9675 | |
| 194 | W | A | 0.0000 | |
| 195 | Q | A | -2.2910 | |
| 196 | Q | A | -2.0364 | |
| 197 | G | A | -1.0160 | |
| 198 | N | A | -0.6601 | |
| 199 | V | A | 0.3171 | |
| 200 | F | A | 0.0000 | |
| 201 | S | A | -1.0178 | |
| 202 | C | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | M | A | -0.7723 | |
| 206 | H | A | 0.0000 | |
| 207 | E | A | -2.8031 | |
| 208 | C | A | -1.9706 | |
| 209 | Q | A | 0.0000 | |
| 210 | H | A | -2.2897 | |
| 211 | N | A | -2.2469 | |
| 212 | H | A | -2.3363 | |
| 213 | Y | A | -1.0020 | |
| 214 | T | A | -0.9632 | |
| 215 | Q | A | -1.1028 | |
| 216 | K | A | -1.1520 | |
| 217 | S | A | -0.5937 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | -0.1219 | |
| 220 | L | A | -0.3393 | |
| 221 | S | A | -0.7541 | |
| 222 | P | A | -1.3172 | |
| 223 | G | A | -1.5459 | |
| 224 | K | A | -2.3923 | |
| 225 | G | A | -1.6391 | |
| 226 | A | A | -1.0454 | |
| 227 | G | A | -1.2247 | |
| 228 | G | A | -1.2695 | |
| 229 | G | A | -1.1175 | |
| 230 | G | A | -1.0661 | |
| 231 | G | A | -0.9946 | |
| 232 | S | A | -0.8800 | |
| 233 | G | A | -1.0333 | |
| 234 | G | A | -1.1276 | |
| 235 | G | A | -1.1210 | |
| 236 | G | A | -1.0044 | |
| 237 | S | A | -1.0007 | |
| 238 | G | A | -1.1137 | |
| 239 | G | A | -1.1224 | |
| 240 | G | A | -1.1876 | |
| 241 | G | A | -1.0962 | |
| 242 | S | A | -0.9176 | |
| 243 | G | A | -0.9152 | |
| 244 | A | A | -0.7154 | |
| 245 | G | A | -0.9213 | |
| 246 | G | A | -1.1388 | |
| 247 | Q | A | -1.3789 | |
| 248 | C | A | -0.6684 | |
| 249 | R | A | -1.5585 | |
| 250 | E | A | -2.2012 | |
| 251 | P | A | 0.0000 | |
| 252 | Q | A | -1.5325 | |
| 253 | V | A | 0.0000 | |
| 254 | Y | A | 0.0605 | |
| 255 | T | A | -0.1001 | |
| 256 | S | A | -0.2574 | |
| 257 | P | A | -0.5427 | |
| 258 | P | A | -1.1027 | |
| 259 | S | A | -1.6959 | |
| 260 | R | A | -2.9381 | |
| 261 | D | A | -3.0501 | |
| 262 | E | A | -2.6223 | |
| 263 | L | A | -2.2213 | |
| 264 | T | A | -2.1587 | |
| 265 | K | A | -3.3407 | |
| 266 | N | A | -2.9782 | |
| 267 | Q | A | -2.7672 | |
| 268 | V | A | 0.0000 | |
| 269 | S | A | -0.4390 | |
| 270 | L | A | 0.0000 | |
| 271 | R | A | -0.4098 | |
| 272 | C | A | 0.0000 | |
| 273 | H | A | -0.6464 | |
| 274 | V | A | 0.0000 | |
| 275 | K | A | -1.5184 | |
| 276 | G | A | -1.5603 | |
| 277 | F | A | 0.0000 | |
| 278 | Y | A | -0.8756 | |
| 279 | P | A | -0.9778 | |
| 280 | S | A | -0.6343 | |
| 281 | D | A | -1.5302 | |
| 282 | I | A | -0.8178 | |
| 283 | A | A | -0.3326 | |
| 284 | V | A | 0.0000 | |
| 285 | E | A | -0.7209 | |
| 286 | W | A | 0.0000 | |
| 287 | E | A | -1.2042 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | -1.9795 | |
| 290 | G | A | -1.6048 | |
| 291 | Q | A | -1.9042 | |
| 292 | P | A | -1.4787 | |
| 293 | E | A | 0.0000 | |
| 294 | N | A | -2.0522 | |
| 295 | N | A | -1.8777 | |
| 296 | Y | A | -1.5146 | |
| 297 | K | A | -2.1266 | |
| 298 | T | A | -1.2460 | |
| 299 | T | A | -1.1380 | |
| 300 | K | A | -1.5992 | |
| 301 | P | A | -0.4003 | |
| 302 | V | A | 1.1675 | |
| 303 | L | A | 1.1433 | |
| 304 | D | A | -0.5513 | |
| 305 | S | A | -0.9528 | |
| 306 | D | A | -1.9390 | |
| 307 | G | A | -0.9221 | |
| 308 | S | A | 0.0000 | |
| 309 | F | A | -0.2693 | |
| 310 | R | A | -0.8104 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | -0.7211 | |
| 313 | S | A | 0.0000 | |
| 314 | Y | A | -0.4369 | |
| 315 | L | A | 0.0000 | |
| 316 | T | A | -1.1214 | |
| 317 | V | A | 0.0000 | |
| 318 | D | A | -2.4708 | |
| 319 | K | A | -2.7412 | |
| 320 | S | A | -2.1275 | |
| 321 | R | A | -1.9549 | |
| 322 | W | A | 0.0000 | |
| 323 | Q | A | -2.2818 | |
| 324 | Q | A | -2.1682 | |
| 325 | G | A | -1.2501 | |
| 326 | N | A | -1.0938 | |
| 327 | V | A | -0.5234 | |
| 328 | F | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | M | A | 0.0000 | |
| 334 | H | A | 0.0000 | |
| 335 | E | A | -1.5630 | |
| 336 | C | A | -1.2810 | |
| 337 | Q | A | 0.0000 | |
| 338 | H | A | -1.8227 | |
| 339 | N | A | -1.6171 | |
| 340 | H | A | -1.6300 | |
| 341 | Y | A | -0.9064 | |
| 342 | T | A | -0.8443 | |
| 343 | Q | A | -0.7169 | |
| 344 | K | A | -0.9598 | |
| 345 | S | A | -0.8191 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | -0.3373 | |
| 348 | L | A | -0.4921 | |
| 349 | S | A | -0.7939 | |
| 350 | P | A | -0.8870 | |
| 351 | G | A | -0.8380 | |
| 352 | K | A | -0.9123 | |
| 353 | I | A | 1.1397 | |
| 354 | T | A | 0.7769 | |
| 355 | M | A | 1.5954 | |
| 356 | Q | A | 0.6184 | |
| 357 | I | A | 1.9863 | |
| 358 | M | A | 1.2842 | |
| 359 | R | A | -0.4481 | |
| 360 | I | A | 0.6715 | |
| 361 | K | A | -1.6431 | |
| 362 | P | A | -1.6553 | |
| 363 | H | A | -2.1168 | |
| 364 | Q | A | -2.5415 | |
| 365 | G | A | -2.1886 | |
| 366 | Q | A | -1.8429 | |
| 367 | H | A | -0.9534 | |
| 368 | I | A | 0.6339 | |
| 369 | G | A | -0.2396 | |
| 370 | E | A | -1.1034 | |
| 371 | M | A | 0.3068 | |
| 372 | S | A | 0.9965 | |
| 373 | F | A | 2.0491 |
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