| Chain sequence(s) |
A: REVESVDLPHCHLIKGIEAGSEDIDILPNGLAFFSVGLKFPGLHSFAPDKPGGILMMDLKEEKPRARELRISRGFDLASFNPHGISTFIDNDDTVYLFVVNHPEFKNTVEIFKFEEAENSLLHLKTVKHELLPSVNDITAVGPAHFYATNDHYFSDPFLKYLETYLNLHWANVVYYSPNEVKVVAEGFDSANGINISPDDKYIYVADILAHEIHVLEKHTNMNLTQLKVLELDTLVDNLSIDPSSGDIWVGCHPNGQKLFVYDPNNPPSSEVLRIQNILSEKPTVTTVYANNGSVLQGSSVASVYDGKLLIGTLYHRALYCEL
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:22)
[INFO] Main: Simulation completed successfully. (00:02:24)
|
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 | |
| 32 | R | A | -3.0889 | |
| 33 | E | A | -3.2999 | |
| 34 | V | A | -2.2916 | |
| 35 | E | A | -2.5743 | |
| 36 | S | A | -1.7759 | |
| 37 | V | A | -0.9927 | |
| 38 | D | A | -1.8169 | |
| 39 | L | A | -0.6291 | |
| 40 | P | A | -0.9200 | |
| 41 | H | A | -1.3222 | |
| 42 | C | A | -0.7932 | |
| 43 | H | A | -1.1348 | |
| 44 | L | A | -0.7781 | |
| 45 | I | A | 0.0000 | |
| 46 | K | A | -2.9662 | |
| 47 | G | A | -2.6996 | |
| 48 | I | A | 0.0000 | |
| 49 | E | A | -2.1878 | |
| 50 | A | A | -1.1410 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | E | A | 0.0000 | |
| 54 | D | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | D | A | -0.2090 | |
| 57 | I | A | -0.0835 | |
| 58 | L | A | 0.0000 | |
| 59 | P | A | -0.6432 | |
| 60 | N | A | -1.4368 | |
| 61 | G | A | 0.0000 | |
| 62 | L | A | -0.7428 | |
| 63 | A | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | V | A | -0.5905 | |
| 68 | G | A | -0.8285 | |
| 69 | L | A | 0.0000 | |
| 70 | K | A | -1.1190 | |
| 71 | F | A | -0.2321 | |
| 72 | P | A | 0.2054 | |
| 73 | G | A | 0.3161 | |
| 74 | L | A | 0.6422 | |
| 75 | H | A | 0.3329 | |
| 76 | S | A | -0.2761 | |
| 77 | F | A | 0.0218 | |
| 78 | A | A | -1.1885 | |
| 79 | P | A | -1.6258 | |
| 80 | D | A | -2.6413 | |
| 81 | K | A | -2.7608 | |
| 82 | P | A | -1.4433 | |
| 83 | G | A | -0.7972 | |
| 84 | G | A | -0.6933 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | D | A | -2.3565 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -3.5733 | |
| 92 | E | A | -4.1769 | |
| 93 | E | A | -4.0107 | |
| 94 | K | A | -3.7811 | |
| 95 | P | A | -3.4784 | |
| 96 | R | A | -3.7024 | |
| 97 | A | A | -2.6326 | |
| 98 | R | A | -3.5775 | |
| 99 | E | A | -3.3078 | |
| 100 | L | A | 0.0000 | |
| 101 | R | A | -2.9342 | |
| 102 | I | A | -1.3085 | |
| 103 | S | A | -1.1852 | |
| 104 | R | A | -2.2436 | |
| 105 | G | A | -1.5538 | |
| 106 | F | A | -0.9392 | |
| 107 | D | A | -1.4807 | |
| 108 | L | A | 0.0155 | |
| 109 | A | A | -0.4411 | |
| 110 | S | A | -0.7422 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | T | A | 0.2811 | |
| 119 | F | A | 0.3589 | |
| 120 | I | A | -0.1743 | |
| 121 | D | A | -1.5630 | |
| 122 | N | A | -2.6257 | |
| 123 | D | A | -3.2188 | |
| 124 | D | A | -2.8392 | |
| 125 | T | A | -1.7400 | |
| 126 | V | A | 0.0000 | |
| 127 | Y | A | -0.0302 | |
| 128 | L | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | N | A | 0.0000 | |
| 133 | H | A | 0.0000 | |
| 134 | P | A | -1.3225 | |
| 135 | E | A | -1.9469 | |
| 136 | F | A | -0.9354 | |
| 137 | K | A | -2.1839 | |
| 138 | N | A | -1.6673 | |
| 139 | T | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | K | A | -0.7096 | |
| 145 | F | A | 0.0000 | |
| 146 | E | A | -2.6937 | |
| 147 | E | A | -2.8030 | |
| 148 | A | A | -1.9602 | |
| 149 | E | A | -2.9543 | |
| 150 | N | A | -2.8676 | |
| 151 | S | A | -2.3370 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | -0.2081 | |
| 154 | H | A | -0.1696 | |
| 155 | L | A | 0.3232 | |
| 156 | K | A | -0.7139 | |
| 157 | T | A | -0.7010 | |
| 158 | V | A | 0.0000 | |
| 159 | K | A | -2.5315 | |
| 160 | H | A | -1.9465 | |
| 161 | E | A | -2.2030 | |
| 162 | L | A | -0.6530 | |
| 163 | L | A | 0.0000 | |
| 164 | P | A | -0.8627 | |
| 165 | S | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | D | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | V | A | 0.1739 | |
| 173 | G | A | 0.0000 | |
| 174 | P | A | -0.1350 | |
| 175 | A | A | -0.1317 | |
| 176 | H | A | -0.4223 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | N | A | 0.0000 | |
| 182 | D | A | 0.0000 | |
| 183 | H | A | 0.5531 | |
| 184 | Y | A | 1.2582 | |
| 185 | F | A | 1.0515 | |
| 186 | S | A | -0.1826 | |
| 187 | D | A | -0.1603 | |
| 188 | P | A | 0.7934 | |
| 189 | F | A | 2.1957 | |
| 190 | L | A | 1.8310 | |
| 191 | K | A | 1.5865 | |
| 192 | Y | A | 2.2432 | |
| 193 | L | A | 2.3428 | |
| 194 | E | A | 0.0000 | |
| 195 | T | A | 1.2241 | |
| 196 | Y | A | 2.2010 | |
| 197 | L | A | 1.8695 | |
| 198 | N | A | 0.1490 | |
| 199 | L | A | 0.4689 | |
| 200 | H | A | -0.6002 | |
| 201 | W | A | 0.1361 | |
| 202 | A | A | 0.0000 | |
| 203 | N | A | -0.6791 | |
| 204 | V | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | P | A | -1.2400 | |
| 210 | N | A | -2.0680 | |
| 211 | E | A | -2.1364 | |
| 212 | V | A | -1.0211 | |
| 213 | K | A | -0.4448 | |
| 214 | V | A | 0.1247 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | -1.1583 | |
| 217 | E | A | -1.9288 | |
| 218 | G | A | -1.3461 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | -0.8267 | |
| 221 | S | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | N | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | N | A | -0.2731 | |
| 227 | I | A | -0.8872 | |
| 228 | S | A | -1.5674 | |
| 229 | P | A | -1.8820 | |
| 230 | D | A | -2.9959 | |
| 231 | D | A | -3.0560 | |
| 232 | K | A | -2.7380 | |
| 233 | Y | A | -1.3994 | |
| 234 | I | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | I | A | 0.1698 | |
| 240 | L | A | 0.0453 | |
| 241 | A | A | -0.5772 | |
| 242 | H | A | -1.0935 | |
| 243 | E | A | -1.0857 | |
| 244 | I | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -1.5232 | |
| 249 | K | A | -1.7836 | |
| 250 | H | A | -1.5601 | |
| 251 | T | A | -1.2060 | |
| 252 | N | A | -1.6355 | |
| 253 | M | A | -1.1249 | |
| 254 | N | A | -1.2035 | |
| 255 | L | A | 0.0000 | |
| 256 | T | A | -1.0512 | |
| 257 | Q | A | -1.3842 | |
| 258 | L | A | -0.6018 | |
| 259 | K | A | -1.6183 | |
| 260 | V | A | -0.5147 | |
| 261 | L | A | -0.8620 | |
| 262 | E | A | -2.2311 | |
| 263 | L | A | -1.5184 | |
| 264 | D | A | -2.4224 | |
| 265 | T | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | N | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -0.1075 | |
| 272 | I | A | -0.1307 | |
| 273 | D | A | -0.3383 | |
| 274 | P | A | -0.7659 | |
| 275 | S | A | -0.5140 | |
| 276 | S | A | -0.7203 | |
| 277 | G | A | -0.9481 | |
| 278 | D | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | W | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | N | A | -1.3944 | |
| 287 | G | A | 0.0000 | |
| 288 | Q | A | -0.6072 | |
| 289 | K | A | -0.2146 | |
| 290 | L | A | 0.0000 | |
| 291 | F | A | 1.8452 | |
| 292 | V | A | 1.7745 | |
| 293 | Y | A | 0.3098 | |
| 294 | D | A | -1.2150 | |
| 295 | P | A | -1.4307 | |
| 296 | N | A | -2.2831 | |
| 297 | N | A | -2.3257 | |
| 298 | P | A | -1.3483 | |
| 299 | P | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | S | A | 0.0000 | |
| 302 | E | A | -0.4789 | |
| 303 | V | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | R | A | -0.4246 | |
| 306 | I | A | 0.0000 | |
| 307 | Q | A | -1.0690 | |
| 308 | N | A | -1.6216 | |
| 309 | I | A | 0.0000 | |
| 310 | L | A | -0.1120 | |
| 311 | S | A | -1.6134 | |
| 312 | E | A | -2.8200 | |
| 313 | K | A | -2.6062 | |
| 314 | P | A | -1.4423 | |
| 315 | T | A | -0.8690 | |
| 316 | V | A | 0.1243 | |
| 317 | T | A | 0.1047 | |
| 318 | T | A | 0.1027 | |
| 319 | V | A | 0.1050 | |
| 320 | Y | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | N | A | 0.0000 | |
| 323 | N | A | -2.0293 | |
| 324 | G | A | 0.0000 | |
| 325 | S | A | -0.5171 | |
| 326 | V | A | 0.2792 | |
| 327 | L | A | 0.0000 | |
| 328 | Q | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | S | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | V | A | -0.0750 | |
| 336 | Y | A | -1.0490 | |
| 337 | D | A | -1.9401 | |
| 338 | G | A | -0.8557 | |
| 339 | K | A | -0.5869 | |
| 340 | L | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | H | A | -0.6101 | |
| 348 | R | A | -1.2861 | |
| 349 | A | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | Y | A | -0.5023 | |
| 352 | C | A | 0.0000 | |
| 353 | E | A | -0.4802 | |
| 354 | L | A | 0.8189 |
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