| Chain sequence(s) |
A: MPMYQVKPYHGGGAPLRVELPTCMYRLPNVHGRSYGPAPGAGHVQEESNLSLQALESRQDDILKRLYELKAAVDGLSKMIQTPDADLDVTNIIQADEPTTLTTNALDLNSVLGKDYGALKDIVINANPASPPLSLLVLHRLLCEHFRVLSTVHTHSSVKSVPENLLKCFGEQNKKQPRQDYQLGFTLIWKNVPKTQMKFSIQTMCPIEGEGNIARFLFSLFGQKHNAVNATLIDSWVDIAIFQLKEGSSKEKAAVFRSMNSALGKSPWLAGNELTVADVVLWSVLQQIGGCSVTVPANVQRWMRSCENLAPFNTALKLLK
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 (00:04:22)
[INFO] Main: Simulation completed successfully. (00:04:24)
|
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 | |
| 1 | M | A | 1.3491 | |
| 2 | P | A | 0.9317 | |
| 3 | M | A | 1.6760 | |
| 4 | Y | A | 1.4840 | |
| 5 | Q | A | -0.1073 | |
| 6 | V | A | 0.5883 | |
| 7 | K | A | -1.1131 | |
| 8 | P | A | -0.6234 | |
| 9 | Y | A | 0.4425 | |
| 10 | H | A | -0.6028 | |
| 11 | G | A | -1.0797 | |
| 12 | G | A | -1.0038 | |
| 13 | G | A | -0.7418 | |
| 14 | A | A | -0.4294 | |
| 15 | P | A | -0.0031 | |
| 16 | L | A | 0.6944 | |
| 17 | R | A | -0.6005 | |
| 18 | V | A | 0.7663 | |
| 19 | E | A | -0.6824 | |
| 20 | L | A | 0.8041 | |
| 21 | P | A | 0.8325 | |
| 22 | T | A | 0.5648 | |
| 23 | C | A | 1.3941 | |
| 24 | M | A | 1.8831 | |
| 25 | Y | A | 1.5529 | |
| 26 | R | A | -0.1887 | |
| 27 | L | A | 0.9256 | |
| 28 | P | A | -0.1459 | |
| 29 | N | A | -1.1019 | |
| 30 | V | A | 0.4097 | |
| 31 | H | A | -1.3054 | |
| 32 | G | A | -1.6502 | |
| 33 | R | A | -2.0414 | |
| 34 | S | A | -1.0025 | |
| 35 | Y | A | 0.4223 | |
| 36 | G | A | -0.2273 | |
| 37 | P | A | -0.2971 | |
| 38 | A | A | -0.2660 | |
| 39 | P | A | -0.6157 | |
| 40 | G | A | -0.6672 | |
| 41 | A | A | -0.5153 | |
| 42 | G | A | -1.4245 | |
| 43 | H | A | -1.7341 | |
| 44 | V | A | -0.7893 | |
| 45 | Q | A | -2.3727 | |
| 46 | E | A | -3.0933 | |
| 47 | E | A | -2.7090 | |
| 48 | S | A | -1.7110 | |
| 49 | N | A | -1.6481 | |
| 50 | L | A | -0.4262 | |
| 51 | S | A | -0.3546 | |
| 52 | L | A | 0.0996 | |
| 53 | Q | A | -1.0898 | |
| 54 | A | A | -0.5545 | |
| 55 | L | A | -0.4333 | |
| 56 | E | A | -2.3342 | |
| 57 | S | A | -2.5698 | |
| 58 | R | A | -3.2281 | |
| 59 | Q | A | -3.2192 | |
| 60 | D | A | -3.8547 | |
| 61 | D | A | -3.6745 | |
| 62 | I | A | -1.7741 | |
| 63 | L | A | -1.4641 | |
| 64 | K | A | -3.1582 | |
| 65 | R | A | -2.7194 | |
| 66 | L | A | -0.7225 | |
| 67 | Y | A | -0.3728 | |
| 68 | E | A | -1.8351 | |
| 69 | L | A | -0.5157 | |
| 70 | K | A | -1.3055 | |
| 71 | A | A | -0.7584 | |
| 72 | A | A | 0.0547 | |
| 73 | V | A | 0.7534 | |
| 74 | D | A | -1.2506 | |
| 75 | G | A | -0.1070 | |
| 76 | L | A | 1.3200 | |
| 77 | S | A | 0.1865 | |
| 78 | K | A | -1.0073 | |
| 79 | M | A | 0.9055 | |
| 80 | I | A | 1.1613 | |
| 81 | Q | A | -0.7193 | |
| 82 | T | A | -0.8784 | |
| 83 | P | A | -1.3057 | |
| 84 | D | A | -2.0195 | |
| 85 | A | A | -1.2059 | |
| 86 | D | A | -1.7574 | |
| 87 | L | A | -0.0165 | |
| 88 | D | A | -0.7246 | |
| 89 | V | A | 1.5144 | |
| 90 | T | A | 0.7124 | |
| 91 | N | A | 0.2894 | |
| 92 | I | A | 2.2331 | |
| 93 | I | A | 1.9846 | |
| 94 | Q | A | -0.8726 | |
| 95 | A | A | -1.2598 | |
| 96 | D | A | -2.8303 | |
| 97 | E | A | -3.0227 | |
| 98 | P | A | -1.4892 | |
| 99 | T | A | -0.6729 | |
| 100 | T | A | 0.2938 | |
| 101 | L | A | 1.1959 | |
| 102 | T | A | 0.2333 | |
| 103 | T | A | -0.2259 | |
| 104 | N | A | -1.2537 | |
| 105 | A | A | -0.7276 | |
| 106 | L | A | -0.7594 | |
| 107 | D | A | -1.0959 | |
| 108 | L | A | 0.0000 | |
| 109 | N | A | -1.4846 | |
| 110 | S | A | -0.7187 | |
| 111 | V | A | -0.0545 | |
| 112 | L | A | -0.4869 | |
| 113 | G | A | -1.5328 | |
| 114 | K | A | -2.6500 | |
| 115 | D | A | -2.5668 | |
| 116 | Y | A | -1.2110 | |
| 117 | G | A | -1.1225 | |
| 118 | A | A | -1.0582 | |
| 119 | L | A | -0.7450 | |
| 120 | K | A | 0.0000 | |
| 121 | D | A | -0.6629 | |
| 122 | I | A | 0.0000 | |
| 123 | V | A | -0.0073 | |
| 124 | I | A | 0.0000 | |
| 125 | N | A | -1.1125 | |
| 126 | A | A | 0.0000 | |
| 127 | N | A | -1.1305 | |
| 128 | P | A | -0.3747 | |
| 129 | A | A | -0.3345 | |
| 130 | S | A | -0.7239 | |
| 131 | P | A | -0.2616 | |
| 132 | P | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | H | A | 0.0000 | |
| 140 | R | A | -0.7192 | |
| 141 | L | A | -0.6556 | |
| 142 | L | A | 0.0000 | |
| 143 | C | A | -1.4138 | |
| 144 | E | A | -2.4740 | |
| 145 | H | A | -2.0820 | |
| 146 | F | A | 0.0000 | |
| 147 | R | A | -2.5136 | |
| 148 | V | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | T | A | -0.3056 | |
| 152 | V | A | 0.0139 | |
| 153 | H | A | -0.5116 | |
| 154 | T | A | -0.8155 | |
| 155 | H | A | -1.2850 | |
| 156 | S | A | -1.1252 | |
| 157 | S | A | -1.1501 | |
| 158 | V | A | -1.3528 | |
| 159 | K | A | -1.9725 | |
| 160 | S | A | -1.2445 | |
| 161 | V | A | -0.7422 | |
| 162 | P | A | -1.1720 | |
| 163 | E | A | -2.2743 | |
| 164 | N | A | -2.1048 | |
| 165 | L | A | 0.0000 | |
| 166 | L | A | -0.8701 | |
| 167 | K | A | -2.3838 | |
| 168 | C | A | 0.0000 | |
| 169 | F | A | -0.9264 | |
| 170 | G | A | -2.0055 | |
| 171 | E | A | -3.1005 | |
| 172 | Q | A | -3.0661 | |
| 173 | N | A | -3.5945 | |
| 174 | K | A | -4.1001 | |
| 175 | K | A | -3.7780 | |
| 176 | Q | A | -3.5931 | |
| 177 | P | A | -2.7102 | |
| 178 | R | A | -3.0481 | |
| 179 | Q | A | -2.4459 | |
| 180 | D | A | -2.3160 | |
| 181 | Y | A | 0.0000 | |
| 182 | Q | A | -1.8427 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | T | A | -0.1091 | |
| 187 | L | A | 0.0000 | |
| 188 | I | A | -0.1949 | |
| 189 | W | A | 0.0000 | |
| 190 | K | A | -1.4879 | |
| 191 | N | A | -2.0315 | |
| 192 | V | A | 0.0000 | |
| 193 | P | A | -1.5016 | |
| 194 | K | A | -2.2054 | |
| 195 | T | A | -1.7039 | |
| 196 | Q | A | -1.5547 | |
| 197 | M | A | 0.0000 | |
| 198 | K | A | -0.5579 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | 0.3597 | |
| 201 | I | A | 1.2637 | |
| 202 | Q | A | -0.1923 | |
| 203 | T | A | 0.2104 | |
| 204 | M | A | 0.7516 | |
| 205 | C | A | 0.7551 | |
| 206 | P | A | 0.0444 | |
| 207 | I | A | -0.7610 | |
| 208 | E | A | -2.0061 | |
| 209 | G | A | -1.4913 | |
| 210 | E | A | -1.0583 | |
| 211 | G | A | 0.0000 | |
| 212 | N | A | -1.4844 | |
| 213 | I | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | R | A | -0.7136 | |
| 216 | F | A | -0.1007 | |
| 217 | L | A | 0.0000 | |
| 218 | F | A | -0.0713 | |
| 219 | S | A | -0.4049 | |
| 220 | L | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | G | A | -1.2062 | |
| 223 | Q | A | -2.2921 | |
| 224 | K | A | -2.7548 | |
| 225 | H | A | -1.8488 | |
| 226 | N | A | -1.2815 | |
| 227 | A | A | 0.0110 | |
| 228 | V | A | 1.2615 | |
| 229 | N | A | -0.0453 | |
| 230 | A | A | -0.3404 | |
| 231 | T | A | 0.1722 | |
| 232 | L | A | 0.3937 | |
| 233 | I | A | 0.0000 | |
| 234 | D | A | -0.9031 | |
| 235 | S | A | -0.4715 | |
| 236 | W | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | -0.2817 | |
| 239 | I | A | 0.3364 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | 0.2404 | |
| 242 | F | A | 1.1741 | |
| 243 | Q | A | -0.4182 | |
| 244 | L | A | 0.0000 | |
| 245 | K | A | -1.2088 | |
| 246 | E | A | -1.8682 | |
| 247 | G | A | -1.4700 | |
| 248 | S | A | -1.6507 | |
| 249 | S | A | -1.5213 | |
| 250 | K | A | -2.2368 | |
| 251 | E | A | -2.1514 | |
| 252 | K | A | -1.7134 | |
| 253 | A | A | -1.3303 | |
| 254 | A | A | -1.4873 | |
| 255 | V | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | R | A | -2.1201 | |
| 258 | S | A | -1.2007 | |
| 259 | M | A | 0.0000 | |
| 260 | N | A | -1.7285 | |
| 261 | S | A | -1.3947 | |
| 262 | A | A | -1.1952 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | -1.5215 | |
| 265 | K | A | -2.2244 | |
| 266 | S | A | -1.7048 | |
| 267 | P | A | -1.5689 | |
| 268 | W | A | -1.0983 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | -0.8293 | |
| 271 | G | A | -1.5035 | |
| 272 | N | A | -2.3897 | |
| 273 | E | A | -2.4997 | |
| 274 | L | A | -0.9872 | |
| 275 | T | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | D | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | W | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | Q | A | -0.7174 | |
| 287 | Q | A | -1.0464 | |
| 288 | I | A | -0.7883 | |
| 289 | G | A | -0.8401 | |
| 290 | G | A | -0.6415 | |
| 291 | C | A | -0.1288 | |
| 292 | S | A | -0.1726 | |
| 293 | V | A | -0.0198 | |
| 294 | T | A | 0.1899 | |
| 295 | V | A | 0.0059 | |
| 296 | P | A | -0.7027 | |
| 297 | A | A | -0.7478 | |
| 298 | N | A | -1.5998 | |
| 299 | V | A | 0.0000 | |
| 300 | Q | A | -1.8308 | |
| 301 | R | A | -2.8596 | |
| 302 | W | A | 0.0000 | |
| 303 | M | A | -1.8712 | |
| 304 | R | A | -3.0435 | |
| 305 | S | A | -1.9800 | |
| 306 | C | A | 0.0000 | |
| 307 | E | A | -2.0034 | |
| 308 | N | A | -1.9206 | |
| 309 | L | A | -0.6610 | |
| 310 | A | A | -0.3378 | |
| 311 | P | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | N | A | -1.2180 | |
| 314 | T | A | -0.7421 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | -1.2230 | |
| 317 | K | A | -2.1584 | |
| 318 | L | A | -1.4394 | |
| 319 | L | A | -1.0864 | |
| 320 | K | A | -2.0673 |
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