| Chain sequence(s) |
A: MTEIEERRCEGFECGKPAKLRCPTCIKLGLKDSFFCDQVCFKANWATHKNQHNDPDAPYNPWPNYKFTGSLRPARVTPRRPVPQSITRPDYALHPQGVSFEERQAKKNREIKVLDDEEKEGLRVACRLGREVLNEAAKACAPGVTTDEIDRVVHEACIERDCYPSPLGYYNFPKSCCTSVNEVICHGIPDLRVLENGDLCNVDVTVYHRGFHGDLNETFLVGDAVDEESRNLVRVTYECLQQAIAMVRPGVKFREIGNVIQKHANANGFSVVKAYCGHGIHRLFHTVPNVPHYAKNTATGVMKAGNSFTIEPMINAGSYHDDRWPDDWTAVTTDGKRSAQFEHTLLVTENGCDVLTAREGNRPWFMDQIDKWYSK
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 (00:05:20)
[INFO] Main: Simulation completed successfully. (00:05:22)
|
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 | 0.8160 | |
| 2 | T | A | -0.1381 | |
| 3 | E | A | -1.3868 | |
| 4 | I | A | -0.3446 | |
| 5 | E | A | -2.8878 | |
| 6 | E | A | -3.9798 | |
| 7 | R | A | -4.5386 | |
| 8 | R | A | -4.7929 | |
| 9 | C | A | 0.0000 | |
| 10 | E | A | -2.7910 | |
| 11 | G | A | 0.0000 | |
| 12 | F | A | -0.3472 | |
| 13 | E | A | -1.1920 | |
| 14 | C | A | -1.3924 | |
| 15 | G | A | -2.4107 | |
| 16 | K | A | -3.5233 | |
| 17 | P | A | -3.2537 | |
| 18 | A | A | -3.2283 | |
| 19 | K | A | -2.8127 | |
| 20 | L | A | -1.2173 | |
| 21 | R | A | -1.2005 | |
| 22 | C | A | 0.0000 | |
| 23 | P | A | -0.1107 | |
| 24 | T | A | -0.3592 | |
| 25 | C | A | 0.0000 | |
| 26 | I | A | 0.3312 | |
| 27 | K | A | -0.6318 | |
| 28 | L | A | -0.2370 | |
| 29 | G | A | -0.4821 | |
| 30 | L | A | -1.0656 | |
| 31 | K | A | -2.2080 | |
| 32 | D | A | -3.1133 | |
| 33 | S | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | C | A | -2.0114 | |
| 37 | D | A | -1.4953 | |
| 38 | Q | A | -1.1253 | |
| 39 | V | A | 0.5278 | |
| 40 | C | A | -0.1215 | |
| 41 | F | A | -0.7300 | |
| 42 | K | A | -1.2390 | |
| 43 | A | A | -0.1994 | |
| 44 | N | A | -0.4401 | |
| 45 | W | A | -0.2750 | |
| 46 | A | A | -0.4634 | |
| 47 | T | A | -0.7111 | |
| 48 | H | A | -1.5164 | |
| 49 | K | A | -1.9613 | |
| 50 | N | A | -2.6971 | |
| 51 | Q | A | -2.6660 | |
| 52 | H | A | -2.3759 | |
| 53 | N | A | -3.1951 | |
| 54 | D | A | -3.2711 | |
| 55 | P | A | -2.5945 | |
| 56 | D | A | -2.6136 | |
| 57 | A | A | -1.8524 | |
| 58 | P | A | -1.1238 | |
| 59 | Y | A | -1.0257 | |
| 60 | N | A | -1.4300 | |
| 61 | P | A | -0.9229 | |
| 62 | W | A | -1.0790 | |
| 63 | P | A | -1.2958 | |
| 64 | N | A | -1.8027 | |
| 65 | Y | A | -1.4189 | |
| 66 | K | A | -1.9323 | |
| 67 | F | A | 0.0000 | |
| 68 | T | A | -1.4835 | |
| 69 | G | A | -1.2908 | |
| 70 | S | A | -0.6822 | |
| 71 | L | A | -0.5887 | |
| 72 | R | A | -1.2393 | |
| 73 | P | A | -0.5395 | |
| 74 | A | A | 0.1020 | |
| 75 | R | A | -0.1065 | |
| 76 | V | A | 0.4965 | |
| 77 | T | A | -0.1859 | |
| 78 | P | A | -0.7562 | |
| 79 | R | A | -0.7398 | |
| 80 | R | A | -1.0033 | |
| 81 | P | A | -0.7523 | |
| 82 | V | A | 0.0000 | |
| 83 | P | A | -1.1235 | |
| 84 | Q | A | -1.5320 | |
| 85 | S | A | -1.1143 | |
| 86 | I | A | 0.0000 | |
| 87 | T | A | -1.3248 | |
| 88 | R | A | -0.8227 | |
| 89 | P | A | 0.0000 | |
| 90 | D | A | -0.7350 | |
| 91 | Y | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | L | A | 0.9606 | |
| 94 | H | A | 0.0535 | |
| 95 | P | A | -0.6218 | |
| 96 | Q | A | -1.2868 | |
| 97 | G | A | 0.0000 | |
| 98 | V | A | -0.2489 | |
| 99 | S | A | 0.0000 | |
| 100 | F | A | -0.0894 | |
| 101 | E | A | -1.9944 | |
| 102 | E | A | 0.0000 | |
| 103 | R | A | -3.0931 | |
| 104 | Q | A | -3.2586 | |
| 105 | A | A | -3.4892 | |
| 106 | K | A | -4.3031 | |
| 107 | K | A | -4.3994 | |
| 108 | N | A | -4.3208 | |
| 109 | R | A | -4.1085 | |
| 110 | E | A | -3.4281 | |
| 111 | I | A | -1.5534 | |
| 112 | K | A | -1.5106 | |
| 113 | V | A | -0.7180 | |
| 114 | L | A | 0.0000 | |
| 115 | D | A | -3.5042 | |
| 116 | D | A | -4.1027 | |
| 117 | E | A | -4.1865 | |
| 118 | E | A | -3.2660 | |
| 119 | K | A | -3.1607 | |
| 120 | E | A | -3.7162 | |
| 121 | G | A | -2.6206 | |
| 122 | L | A | 0.0000 | |
| 123 | R | A | -2.3980 | |
| 124 | V | A | -1.5705 | |
| 125 | A | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | R | A | -2.2870 | |
| 128 | L | A | -1.5183 | |
| 129 | G | A | 0.0000 | |
| 130 | R | A | 0.0000 | |
| 131 | E | A | -2.0687 | |
| 132 | V | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | -1.4928 | |
| 135 | E | A | -1.8806 | |
| 136 | A | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | K | A | -1.9769 | |
| 139 | A | A | -1.1107 | |
| 140 | C | A | 0.0000 | |
| 141 | A | A | -0.7804 | |
| 142 | P | A | -1.0215 | |
| 143 | G | A | -0.4723 | |
| 144 | V | A | 0.2333 | |
| 145 | T | A | 0.3838 | |
| 146 | T | A | 0.0000 | |
| 147 | D | A | 0.0000 | |
| 148 | E | A | -0.4483 | |
| 149 | I | A | 0.0000 | |
| 150 | D | A | 0.0000 | |
| 151 | R | A | -1.1937 | |
| 152 | V | A | -1.0106 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | E | A | -1.7765 | |
| 156 | A | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | I | A | -1.6829 | |
| 159 | E | A | -2.6324 | |
| 160 | R | A | -2.1951 | |
| 161 | D | A | -2.6353 | |
| 162 | C | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | P | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | P | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | Y | A | -0.3658 | |
| 171 | N | A | -1.5643 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -0.4271 | |
| 174 | K | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | C | A | 0.0000 | |
| 177 | C | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | N | A | -0.6288 | |
| 182 | E | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | C | A | 0.0000 | |
| 186 | H | A | -0.4707 | |
| 187 | G | A | 0.0000 | |
| 188 | I | A | 0.2360 | |
| 189 | P | A | 0.0000 | |
| 190 | D | A | 0.6221 | |
| 191 | L | A | 1.2027 | |
| 192 | R | A | 0.4407 | |
| 193 | V | A | 0.9179 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -1.8687 | |
| 196 | N | A | -1.8268 | |
| 197 | G | A | -1.5143 | |
| 198 | D | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | N | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | D | A | -0.3194 | |
| 204 | V | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | H | A | 0.0000 | |
| 209 | R | A | -2.2883 | |
| 210 | G | A | -1.4948 | |
| 211 | F | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | T | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | D | A | -2.0797 | |
| 224 | A | A | -1.6226 | |
| 225 | V | A | 0.0000 | |
| 226 | D | A | -2.7946 | |
| 227 | E | A | -3.3853 | |
| 228 | E | A | -3.3746 | |
| 229 | S | A | 0.0000 | |
| 230 | R | A | -2.1235 | |
| 231 | N | A | -2.2351 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | R | A | -1.3747 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | E | A | -1.2261 | |
| 239 | C | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Q | A | -1.0960 | |
| 242 | Q | A | -1.2616 | |
| 243 | A | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | A | A | -0.5128 | |
| 246 | M | A | -0.5136 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -2.5614 | |
| 249 | P | A | -2.1392 | |
| 250 | G | A | -1.1156 | |
| 251 | V | A | -0.9523 | |
| 252 | K | A | -1.3592 | |
| 253 | F | A | 0.0000 | |
| 254 | R | A | -1.4234 | |
| 255 | E | A | -1.2048 | |
| 256 | I | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | N | A | -1.3261 | |
| 259 | V | A | -0.8142 | |
| 260 | I | A | 0.0000 | |
| 261 | Q | A | -1.6365 | |
| 262 | K | A | -2.2893 | |
| 263 | H | A | -1.8123 | |
| 264 | A | A | 0.0000 | |
| 265 | N | A | -2.2353 | |
| 266 | A | A | -1.4616 | |
| 267 | N | A | -1.4215 | |
| 268 | G | A | -1.1718 | |
| 269 | F | A | 0.0000 | |
| 270 | S | A | -0.7764 | |
| 271 | V | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -0.7520 | |
| 274 | A | A | -0.4177 | |
| 275 | Y | A | -0.1804 | |
| 276 | C | A | -0.2660 | |
| 277 | G | A | 0.0000 | |
| 278 | H | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | R | A | -1.5924 | |
| 283 | L | A | -0.8681 | |
| 284 | F | A | 0.0000 | |
| 285 | H | A | -0.6214 | |
| 286 | T | A | -1.4836 | |
| 287 | V | A | -1.4467 | |
| 288 | P | A | 0.0000 | |
| 289 | N | A | -1.1996 | |
| 290 | V | A | 0.0000 | |
| 291 | P | A | 0.0000 | |
| 292 | H | A | 0.0000 | |
| 293 | Y | A | -0.7470 | |
| 294 | A | A | -1.4412 | |
| 295 | K | A | -1.9395 | |
| 296 | N | A | 0.0000 | |
| 297 | T | A | -0.7955 | |
| 298 | A | A | -0.9037 | |
| 299 | T | A | -0.6032 | |
| 300 | G | A | -0.6936 | |
| 301 | V | A | -0.0305 | |
| 302 | M | A | 0.0000 | |
| 303 | K | A | -2.2336 | |
| 304 | A | A | -1.7612 | |
| 305 | G | A | 0.0000 | |
| 306 | N | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | E | A | -0.1346 | |
| 312 | P | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | A | A | -1.1948 | |
| 317 | G | A | -1.0681 | |
| 318 | S | A | -0.7886 | |
| 319 | Y | A | -0.2355 | |
| 320 | H | A | -1.2668 | |
| 321 | D | A | -1.5481 | |
| 322 | D | A | -1.6322 | |
| 323 | R | A | -1.7692 | |
| 324 | W | A | 0.0000 | |
| 325 | P | A | -1.1552 | |
| 326 | D | A | -1.3890 | |
| 327 | D | A | -2.3256 | |
| 328 | W | A | -1.1661 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | T | A | -1.6086 | |
| 334 | D | A | -2.1334 | |
| 335 | G | A | -1.8450 | |
| 336 | K | A | -2.4118 | |
| 337 | R | A | -1.6156 | |
| 338 | S | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | Q | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | E | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | T | A | -2.0562 | |
| 349 | E | A | -3.0246 | |
| 350 | N | A | -2.8709 | |
| 351 | G | A | -2.0067 | |
| 352 | C | A | -1.1115 | |
| 353 | D | A | -0.9256 | |
| 354 | V | A | -0.3551 | |
| 355 | L | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | A | A | -1.5951 | |
| 358 | R | A | -2.5102 | |
| 359 | E | A | -2.9309 | |
| 360 | G | A | -2.5491 | |
| 361 | N | A | -2.8781 | |
| 362 | R | A | -2.8007 | |
| 363 | P | A | 0.0000 | |
| 364 | W | A | -0.5334 | |
| 365 | F | A | 0.0000 | |
| 366 | M | A | -0.7216 | |
| 367 | D | A | -1.2171 | |
| 368 | Q | A | 0.0000 | |
| 369 | I | A | -1.1899 | |
| 370 | D | A | -2.5651 | |
| 371 | K | A | -2.7624 | |
| 372 | W | A | -1.7444 | |
| 373 | Y | A | -1.5476 | |
| 374 | S | A | -1.8005 | |
| 375 | K | A | -2.1209 |
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