| Chain sequence(s) |
A: GERNISNLNVKKTHRISVVDTKTGSELTVYEAFQRNLIEKSIYLELSGQQYQWKEAMFFESYGHSSHMLTDTKTGLHFNINEAIEQGTIDKALVKKYQEGLITLTELADSLLSRLVPKKDLHSPVAGYWLTASGERISVLKASRRNLVDRITALRCLEAQVSTGGIIDPLTGKKYRVAEALHRGLVDEGFAQQLRQCELVITGIGHPITNKMMSVVEAVNANIINKEMGIRCLEFQYLTGGLIEPQVHSRLSIEEALQVGIIDVLIATKLKDQKSYVRNIICPQTKRKLTYKEALEKADFDFHTGLKLLEVSEPLMTGISSLYYSS
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 (00:09:11)
[INFO] Main: Simulation completed successfully. (00:09:14)
|
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 | G | A | -1.8867 | |
| 2 | E | A | -2.9098 | |
| 3 | R | A | -2.7658 | |
| 4 | N | A | -2.1052 | |
| 5 | I | A | -0.0630 | |
| 6 | S | A | -0.6139 | |
| 7 | N | A | -1.3925 | |
| 8 | L | A | -1.2643 | |
| 9 | N | A | -1.8951 | |
| 10 | V | A | 0.0000 | |
| 11 | K | A | -2.5140 | |
| 12 | K | A | -2.4959 | |
| 13 | T | A | -1.2310 | |
| 14 | H | A | -0.9419 | |
| 15 | R | A | -0.8377 | |
| 16 | I | A | 0.0533 | |
| 17 | S | A | 0.1629 | |
| 18 | V | A | 0.4405 | |
| 19 | V | A | 0.1268 | |
| 20 | D | A | 0.0000 | |
| 21 | T | A | -1.0358 | |
| 22 | K | A | -1.7959 | |
| 23 | T | A | -1.2872 | |
| 24 | G | A | -1.1851 | |
| 25 | S | A | -1.1842 | |
| 26 | E | A | -1.3452 | |
| 27 | L | A | -0.7755 | |
| 28 | T | A | -0.5636 | |
| 29 | V | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | E | A | -1.8518 | |
| 32 | A | A | 0.0000 | |
| 33 | F | A | -1.7041 | |
| 34 | Q | A | -2.7974 | |
| 35 | R | A | -3.1076 | |
| 36 | N | A | -2.7290 | |
| 37 | L | A | -1.0956 | |
| 38 | I | A | -1.1037 | |
| 39 | E | A | -2.0373 | |
| 40 | K | A | -1.4932 | |
| 41 | S | A | -0.7112 | |
| 42 | I | A | -0.0164 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | -0.5612 | |
| 45 | E | A | -1.4970 | |
| 46 | L | A | -0.6382 | |
| 47 | S | A | 0.0000 | |
| 48 | G | A | -1.3691 | |
| 49 | Q | A | -1.7912 | |
| 50 | Q | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | Q | A | -1.8928 | |
| 53 | W | A | -1.4435 | |
| 54 | K | A | -1.9126 | |
| 55 | E | A | -1.3384 | |
| 56 | A | A | 0.0455 | |
| 57 | M | A | 1.5499 | |
| 58 | F | A | 2.3698 | |
| 59 | F | A | 1.8091 | |
| 60 | E | A | -0.4603 | |
| 61 | S | A | -0.1168 | |
| 62 | Y | A | 0.4388 | |
| 63 | G | A | -0.1532 | |
| 64 | H | A | -0.5791 | |
| 65 | S | A | 0.4798 | |
| 66 | S | A | 0.1830 | |
| 67 | H | A | 0.1306 | |
| 68 | M | A | -0.3123 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | -1.1380 | |
| 71 | D | A | 0.0000 | |
| 72 | T | A | -1.1041 | |
| 73 | K | A | -1.3650 | |
| 74 | T | A | 0.0000 | |
| 75 | G | A | -0.6473 | |
| 76 | L | A | 0.0000 | |
| 77 | H | A | -0.5392 | |
| 78 | F | A | 0.0000 | |
| 79 | N | A | -1.2264 | |
| 80 | I | A | 0.0000 | |
| 81 | N | A | -2.1399 | |
| 82 | E | A | -2.9074 | |
| 83 | A | A | 0.0000 | |
| 84 | I | A | -2.6236 | |
| 85 | E | A | -3.4968 | |
| 86 | Q | A | -2.8889 | |
| 87 | G | A | -2.6420 | |
| 88 | T | A | -1.8628 | |
| 89 | I | A | 0.0000 | |
| 90 | D | A | -3.0564 | |
| 91 | K | A | -3.1250 | |
| 92 | A | A | -2.1043 | |
| 93 | L | A | -1.7497 | |
| 94 | V | A | 0.0000 | |
| 95 | K | A | -3.3366 | |
| 96 | K | A | -2.3137 | |
| 97 | Y | A | -1.6495 | |
| 98 | Q | A | -2.6574 | |
| 99 | E | A | -2.8078 | |
| 100 | G | A | -1.3025 | |
| 101 | L | A | 0.1739 | |
| 102 | I | A | 0.0144 | |
| 103 | T | A | 0.0851 | |
| 104 | L | A | -0.2201 | |
| 105 | T | A | -0.1236 | |
| 106 | E | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | D | A | 0.0000 | |
| 110 | S | A | -0.7188 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | S | A | -0.8745 | |
| 114 | R | A | -1.4035 | |
| 115 | L | A | -0.0674 | |
| 116 | V | A | 0.6692 | |
| 117 | P | A | -0.9737 | |
| 118 | K | A | -2.0622 | |
| 119 | K | A | -2.3603 | |
| 120 | D | A | -1.4970 | |
| 121 | L | A | 0.1106 | |
| 122 | H | A | -0.4554 | |
| 123 | S | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | W | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | -0.6673 | |
| 132 | A | A | -0.4936 | |
| 133 | S | A | -0.5166 | |
| 134 | G | A | 0.0000 | |
| 135 | E | A | -0.6318 | |
| 136 | R | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | -0.7562 | |
| 139 | V | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -2.3563 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | R | A | -3.4018 | |
| 145 | R | A | -3.0690 | |
| 146 | N | A | -3.0135 | |
| 147 | L | A | -2.1384 | |
| 148 | V | A | 0.0000 | |
| 149 | D | A | -1.2284 | |
| 150 | R | A | -0.8704 | |
| 151 | I | A | 1.1573 | |
| 152 | T | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | L | A | 0.2451 | |
| 155 | R | A | 0.1112 | |
| 156 | C | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | Q | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | T | A | -0.3929 | |
| 164 | G | A | -0.7024 | |
| 165 | G | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | D | A | -1.2085 | |
| 169 | P | A | 0.0000 | |
| 170 | L | A | -0.3390 | |
| 171 | T | A | -0.7905 | |
| 172 | G | A | -1.1575 | |
| 173 | K | A | -2.1971 | |
| 174 | K | A | -2.2355 | |
| 175 | Y | A | -2.1253 | |
| 176 | R | A | -2.2461 | |
| 177 | V | A | 0.0000 | |
| 178 | A | A | -1.8350 | |
| 179 | E | A | -2.4036 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | -1.9233 | |
| 182 | H | A | -2.5843 | |
| 183 | R | A | -2.7491 | |
| 184 | G | A | -2.1491 | |
| 185 | L | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | D | A | -1.9400 | |
| 188 | E | A | -2.6727 | |
| 189 | G | A | -1.9358 | |
| 190 | F | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | Q | A | -2.7071 | |
| 193 | Q | A | -2.1380 | |
| 194 | L | A | 0.0000 | |
| 195 | R | A | -2.3190 | |
| 196 | Q | A | -1.3187 | |
| 197 | C | A | 0.0000 | |
| 198 | E | A | -0.7717 | |
| 199 | L | A | 0.1603 | |
| 200 | V | A | 0.0000 | |
| 201 | I | A | -0.1075 | |
| 202 | T | A | -0.0594 | |
| 203 | G | A | -0.3059 | |
| 204 | I | A | -0.4390 | |
| 205 | G | A | -1.1314 | |
| 206 | H | A | -1.1115 | |
| 207 | P | A | -0.1310 | |
| 208 | I | A | 1.0454 | |
| 209 | T | A | -0.4998 | |
| 210 | N | A | -1.7616 | |
| 211 | K | A | -2.1339 | |
| 212 | M | A | -1.5431 | |
| 213 | M | A | 0.0000 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | -1.1897 | |
| 217 | E | A | -1.8407 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | N | A | -2.4171 | |
| 221 | A | A | -1.6741 | |
| 222 | N | A | -2.0864 | |
| 223 | I | A | -0.7878 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -2.7633 | |
| 226 | K | A | -3.3485 | |
| 227 | E | A | -2.9308 | |
| 228 | M | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | I | A | -1.0222 | |
| 231 | R | A | -0.8212 | |
| 232 | C | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | E | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | Q | A | 0.0000 | |
| 237 | Y | A | -0.1062 | |
| 238 | L | A | -0.1509 | |
| 239 | T | A | 0.0000 | |
| 240 | G | A | -0.1369 | |
| 241 | G | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | E | A | -0.3340 | |
| 245 | P | A | -0.4469 | |
| 246 | Q | A | -0.7077 | |
| 247 | V | A | 0.4929 | |
| 248 | H | A | -0.7433 | |
| 249 | S | A | -0.4642 | |
| 250 | R | A | -0.7825 | |
| 251 | L | A | -0.9272 | |
| 252 | S | A | -1.2829 | |
| 253 | I | A | 0.0000 | |
| 254 | E | A | -2.2543 | |
| 255 | E | A | -2.2229 | |
| 256 | A | A | 0.0000 | |
| 257 | L | A | -0.5496 | |
| 258 | Q | A | -1.2857 | |
| 259 | V | A | 0.4310 | |
| 260 | G | A | -0.1564 | |
| 261 | I | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | D | A | 0.7405 | |
| 264 | V | A | 1.9584 | |
| 265 | L | A | 2.0694 | |
| 266 | I | A | 0.7959 | |
| 267 | A | A | 0.0000 | |
| 268 | T | A | -0.4410 | |
| 269 | K | A | -1.3237 | |
| 270 | L | A | 0.0000 | |
| 271 | K | A | -2.9748 | |
| 272 | D | A | -3.4007 | |
| 273 | Q | A | -3.2255 | |
| 274 | K | A | -2.8480 | |
| 275 | S | A | -1.8831 | |
| 276 | Y | A | 0.0000 | |
| 277 | V | A | -0.1691 | |
| 278 | R | A | -1.2504 | |
| 279 | N | A | -0.6397 | |
| 280 | I | A | 0.0000 | |
| 281 | I | A | -1.5542 | |
| 282 | C | A | 0.0000 | |
| 283 | P | A | -1.9833 | |
| 284 | Q | A | -2.2208 | |
| 285 | T | A | -2.2357 | |
| 286 | K | A | -3.1918 | |
| 287 | R | A | -3.5925 | |
| 288 | K | A | -2.8765 | |
| 289 | L | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | K | A | -1.7759 | |
| 293 | E | A | -2.2012 | |
| 294 | A | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | E | A | -3.0102 | |
| 297 | K | A | -2.7452 | |
| 298 | A | A | 0.0000 | |
| 299 | D | A | -1.6848 | |
| 300 | F | A | -1.2337 | |
| 301 | D | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | H | A | -0.6137 | |
| 304 | T | A | -0.8187 | |
| 305 | G | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | K | A | -1.0379 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | E | A | -0.9109 | |
| 311 | V | A | 0.0000 | |
| 312 | S | A | -0.9119 | |
| 313 | E | A | -1.2825 | |
| 314 | P | A | -0.2628 | |
| 315 | L | A | 1.4252 | |
| 316 | M | A | 1.7433 | |
| 317 | T | A | 1.0414 | |
| 318 | G | A | 1.0920 | |
| 319 | I | A | 2.4494 | |
| 320 | S | A | 1.9554 | |
| 321 | S | A | 2.1198 | |
| 322 | L | A | 2.9320 | |
| 323 | Y | A | 2.8263 | |
| 324 | Y | A | 2.1333 | |
| 325 | S | A | 1.0305 | |
| 326 | S | A | 0.5755 |
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