| Chain sequence(s) |
A: MSITKNDKNTRTTGRPTLNEVARRAGVSPITASRALRGVASVAEELAQKVRDAARELGYVANPAARALASAQSHSVAVLVPSLANLLFIETLEAIHAVLRPQGLEVLIGNFHYSRNEEEDLIRNYLAYQPRGLLLTGFERTESARRMIEASGIPCVYMMDLDSGSGLNCVGFSQLRAGEAAAEHLLARGRRRLAYIGAQLDQRTLLRGEGFRRALQKAGCYDPGLEILTPRPSSVALGGELFVQLLASQPQVDGVFFCNDDLAQGALLEALRRGVKVPEQIAVLGFNDLPGSDCTVPRLSSIRTPREAIGRRAAEQLLALIAGKEVRDSALDMGFELMAREST
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 (00:03:26)
[INFO] Main: Simulation completed successfully. (00:03:28)
|
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 | 1.4421 | |
| 2 | S | A | 1.0484 | |
| 3 | I | A | 1.5510 | |
| 4 | T | A | -0.3870 | |
| 5 | K | A | -2.5369 | |
| 6 | N | A | -3.3689 | |
| 7 | D | A | -3.9998 | |
| 8 | K | A | -4.0341 | |
| 9 | N | A | -3.4060 | |
| 10 | T | A | -2.8583 | |
| 11 | R | A | -2.9903 | |
| 12 | T | A | -1.5713 | |
| 13 | T | A | -1.5146 | |
| 14 | G | A | -1.9118 | |
| 15 | R | A | -2.2229 | |
| 16 | P | A | -1.1259 | |
| 17 | T | A | -1.2573 | |
| 18 | L | A | -0.1630 | |
| 19 | N | A | -1.3354 | |
| 20 | E | A | -2.2294 | |
| 21 | V | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | R | A | -3.2326 | |
| 24 | R | A | -3.5586 | |
| 25 | A | A | 0.0000 | |
| 26 | G | A | -1.8793 | |
| 27 | V | A | -0.7051 | |
| 28 | S | A | 0.0398 | |
| 29 | P | A | 0.2136 | |
| 30 | I | A | 1.6801 | |
| 31 | T | A | 0.5508 | |
| 32 | A | A | 0.0000 | |
| 33 | S | A | -0.2490 | |
| 34 | R | A | -0.9691 | |
| 35 | A | A | 0.0000 | |
| 36 | L | A | -0.8995 | |
| 37 | R | A | -2.1612 | |
| 38 | G | A | -1.3528 | |
| 39 | V | A | -0.4625 | |
| 40 | A | A | -0.3704 | |
| 41 | S | A | -0.2978 | |
| 42 | V | A | -0.7949 | |
| 43 | A | A | -1.1469 | |
| 44 | E | A | -2.8262 | |
| 45 | E | A | -3.0684 | |
| 46 | L | A | -1.8419 | |
| 47 | A | A | 0.0000 | |
| 48 | Q | A | -2.6419 | |
| 49 | K | A | -3.3833 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -2.4089 | |
| 52 | D | A | -3.1071 | |
| 53 | A | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | R | A | -3.0178 | |
| 56 | E | A | -3.0797 | |
| 57 | L | A | -1.6610 | |
| 58 | G | A | -1.2794 | |
| 59 | Y | A | -0.5237 | |
| 60 | V | A | 1.0360 | |
| 61 | A | A | -0.0101 | |
| 62 | N | A | -0.7174 | |
| 63 | P | A | -0.7363 | |
| 64 | A | A | -0.1914 | |
| 65 | A | A | -0.3122 | |
| 66 | R | A | -1.3549 | |
| 67 | A | A | -0.4088 | |
| 68 | L | A | 0.9367 | |
| 69 | A | A | 0.2433 | |
| 70 | S | A | -0.3026 | |
| 71 | A | A | -0.1991 | |
| 72 | Q | A | -1.2578 | |
| 73 | S | A | -1.3988 | |
| 74 | H | A | -2.2839 | |
| 75 | S | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | P | A | 0.0000 | |
| 82 | S | A | 0.2981 | |
| 83 | L | A | 1.1307 | |
| 84 | A | A | 0.5408 | |
| 85 | N | A | 0.7329 | |
| 86 | L | A | 1.3255 | |
| 87 | L | A | 0.7080 | |
| 88 | F | A | 0.0000 | |
| 89 | I | A | 0.0452 | |
| 90 | E | A | -1.8629 | |
| 91 | T | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | E | A | -2.4948 | |
| 94 | A | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -2.0639 | |
| 97 | A | A | -1.3460 | |
| 98 | V | A | -1.8246 | |
| 99 | L | A | 0.0000 | |
| 100 | R | A | -2.9436 | |
| 101 | P | A | -1.9600 | |
| 102 | Q | A | -2.3134 | |
| 103 | G | A | -2.2983 | |
| 104 | L | A | 0.0000 | |
| 105 | E | A | -2.7750 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.2926 | |
| 108 | I | A | 0.8866 | |
| 109 | G | A | 0.0000 | |
| 110 | N | A | -0.1976 | |
| 111 | F | A | 0.0000 | |
| 112 | H | A | -1.4068 | |
| 113 | Y | A | -1.2625 | |
| 114 | S | A | -2.0820 | |
| 115 | R | A | -3.5817 | |
| 116 | N | A | -3.1393 | |
| 117 | E | A | -3.0568 | |
| 118 | E | A | 0.0000 | |
| 119 | E | A | -2.9792 | |
| 120 | D | A | -3.0265 | |
| 121 | L | A | -1.7215 | |
| 122 | I | A | 0.0000 | |
| 123 | R | A | -2.3244 | |
| 124 | N | A | -1.3401 | |
| 125 | Y | A | -0.3420 | |
| 126 | L | A | -0.5670 | |
| 127 | A | A | -0.1212 | |
| 128 | Y | A | 0.3082 | |
| 129 | Q | A | -0.9341 | |
| 130 | P | A | 0.0000 | |
| 131 | R | A | -1.2929 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | G | A | -0.5678 | |
| 138 | F | A | -0.7457 | |
| 139 | E | A | -2.4320 | |
| 140 | R | A | 0.0000 | |
| 141 | T | A | -2.5715 | |
| 142 | E | A | -2.9405 | |
| 143 | S | A | -2.4591 | |
| 144 | A | A | 0.0000 | |
| 145 | R | A | -2.6336 | |
| 146 | R | A | -3.1080 | |
| 147 | M | A | -2.0932 | |
| 148 | I | A | 0.0000 | |
| 149 | E | A | -2.6175 | |
| 150 | A | A | -1.4784 | |
| 151 | S | A | -1.1132 | |
| 152 | G | A | -0.9301 | |
| 153 | I | A | -0.5877 | |
| 154 | P | A | -0.2802 | |
| 155 | C | A | -0.2109 | |
| 156 | V | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | M | A | 0.0000 | |
| 160 | D | A | 0.0000 | |
| 161 | L | A | -0.3468 | |
| 162 | D | A | -0.9640 | |
| 163 | S | A | -1.0689 | |
| 164 | G | A | -0.9373 | |
| 165 | S | A | -0.8201 | |
| 166 | G | A | -0.9040 | |
| 167 | L | A | -0.4123 | |
| 168 | N | A | -0.3469 | |
| 169 | C | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | S | A | -0.4721 | |
| 174 | Q | A | 0.0000 | |
| 175 | L | A | -0.5473 | |
| 176 | R | A | -1.2661 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -1.8840 | |
| 180 | A | A | -1.1812 | |
| 181 | A | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | E | A | -1.9507 | |
| 184 | H | A | -1.2106 | |
| 185 | L | A | 0.0000 | |
| 186 | L | A | -1.5415 | |
| 187 | A | A | -1.3217 | |
| 188 | R | A | -1.8918 | |
| 189 | G | A | -1.7864 | |
| 190 | R | A | -2.0617 | |
| 191 | R | A | -2.5711 | |
| 192 | R | A | -1.8205 | |
| 193 | L | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | Q | A | -0.5966 | |
| 200 | L | A | 0.0136 | |
| 201 | D | A | -0.6097 | |
| 202 | Q | A | -0.9687 | |
| 203 | R | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | L | A | 0.2931 | |
| 206 | L | A | 0.0014 | |
| 207 | R | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | E | A | -1.3465 | |
| 210 | G | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | R | A | -2.1876 | |
| 213 | R | A | -3.2868 | |
| 214 | A | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | Q | A | -2.8133 | |
| 217 | K | A | -2.8539 | |
| 218 | A | A | -1.9983 | |
| 219 | G | A | -1.7221 | |
| 220 | C | A | -1.3550 | |
| 221 | Y | A | -1.4960 | |
| 222 | D | A | -0.9941 | |
| 223 | P | A | -0.7280 | |
| 224 | G | A | -0.7782 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.3452 | |
| 227 | I | A | 0.3030 | |
| 228 | L | A | 0.6227 | |
| 229 | T | A | -0.0624 | |
| 230 | P | A | -0.6447 | |
| 231 | R | A | -1.1039 | |
| 232 | P | A | -0.9100 | |
| 233 | S | A | -0.5095 | |
| 234 | S | A | -0.3129 | |
| 235 | V | A | 0.2659 | |
| 236 | A | A | 0.0486 | |
| 237 | L | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | E | A | -0.9142 | |
| 241 | L | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | V | A | -0.5330 | |
| 244 | Q | A | -0.8247 | |
| 245 | L | A | 0.0000 | |
| 246 | L | A | -0.2672 | |
| 247 | A | A | -0.3508 | |
| 248 | S | A | -0.6343 | |
| 249 | Q | A | -0.9323 | |
| 250 | P | A | -0.9990 | |
| 251 | Q | A | -1.8744 | |
| 252 | V | A | 0.0000 | |
| 253 | D | A | -1.9283 | |
| 254 | G | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | N | A | -0.2460 | |
| 260 | D | A | 0.0000 | |
| 261 | D | A | -0.2370 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | Q | A | -0.0658 | |
| 265 | G | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | L | A | 0.5576 | |
| 269 | E | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | L | A | -0.4150 | |
| 272 | R | A | -2.1847 | |
| 273 | R | A | -2.6574 | |
| 274 | G | A | -1.8804 | |
| 275 | V | A | -1.8365 | |
| 276 | K | A | -2.7523 | |
| 277 | V | A | 0.0000 | |
| 278 | P | A | -2.1895 | |
| 279 | E | A | -2.9786 | |
| 280 | Q | A | -2.8251 | |
| 281 | I | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | D | A | -1.1542 | |
| 289 | L | A | 0.0000 | |
| 290 | P | A | -0.3429 | |
| 291 | G | A | -0.8310 | |
| 292 | S | A | 0.0000 | |
| 293 | D | A | -1.7076 | |
| 294 | C | A | -0.1042 | |
| 295 | T | A | 0.0077 | |
| 296 | V | A | 1.1448 | |
| 297 | P | A | -0.4224 | |
| 298 | R | A | -1.8250 | |
| 299 | L | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | S | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | R | A | -1.6550 | |
| 304 | T | A | 0.0000 | |
| 305 | P | A | -1.2106 | |
| 306 | R | A | 0.0000 | |
| 307 | E | A | -2.5756 | |
| 308 | A | A | -1.6361 | |
| 309 | I | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | R | A | -3.1901 | |
| 312 | R | A | -2.8449 | |
| 313 | A | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | E | A | -2.4768 | |
| 316 | Q | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | L | A | -0.8352 | |
| 319 | A | A | -1.0995 | |
| 320 | L | A | -0.8235 | |
| 321 | I | A | -0.2676 | |
| 322 | A | A | -0.6556 | |
| 323 | G | A | -1.4407 | |
| 324 | K | A | -2.7603 | |
| 325 | E | A | -3.1551 | |
| 326 | V | A | -2.1937 | |
| 327 | R | A | -2.7706 | |
| 328 | D | A | -2.0403 | |
| 329 | S | A | -1.4331 | |
| 330 | A | A | -1.0243 | |
| 331 | L | A | -1.1533 | |
| 332 | D | A | -1.3420 | |
| 333 | M | A | -0.5660 | |
| 334 | G | A | -0.8823 | |
| 335 | F | A | -1.0374 | |
| 336 | E | A | -1.8526 | |
| 337 | L | A | -0.7098 | |
| 338 | M | A | -0.7750 | |
| 339 | A | A | -0.6510 | |
| 340 | R | A | -1.6809 | |
| 341 | E | A | -2.2832 | |
| 342 | S | A | 0.0000 | |
| 343 | T | A | 0.0000 |
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