| Chain sequence(s) |
A: MTISVPQLDCPLSRPVHPEGERADAYAVEWLRGVGLMADEADAAPVLAVGLGRLAACYVDENASWDTLAFMTILLAWYAEYDDRAIDSTGAIDGLTDAEVAELHRALGEILRDRPAPDPSDPVQRGLADVWRTLNGLASDWDRAAFVDTTLRYFEANRYERVNIRRGIPPTPSAHIGMRRHGGHVYGMYILGAAVNGYRPERRVLDHAAVRELETLAANYTSWANDLHSFAREHRMGQVNNLVWSVHHHEGLTFQQAADRVADLCDKELAAYLELRQTLPELGIPLTGATGRHVRFLEDMMWSMVDWSARSARYDVVPEAA
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 (00:06:59)
[INFO] Main: Simulation completed successfully. (00:07:03)
|
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 | 1.2086 | |
| 2 | T | A | 0.9059 | |
| 3 | I | A | 1.1955 | |
| 4 | S | A | 0.6128 | |
| 5 | V | A | 1.2804 | |
| 6 | P | A | -0.5755 | |
| 7 | Q | A | -1.2790 | |
| 8 | L | A | -1.5997 | |
| 9 | D | A | -2.2740 | |
| 10 | C | A | -1.2711 | |
| 11 | P | A | -0.6791 | |
| 12 | L | A | 0.0000 | |
| 13 | S | A | -0.3803 | |
| 14 | R | A | -0.6681 | |
| 15 | P | A | -0.3909 | |
| 16 | V | A | 0.1007 | |
| 17 | H | A | 0.0000 | |
| 18 | P | A | -1.4507 | |
| 19 | E | A | -2.1707 | |
| 20 | G | A | 0.0000 | |
| 21 | E | A | -2.9628 | |
| 22 | R | A | -2.8977 | |
| 23 | A | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | A | A | -1.0454 | |
| 26 | Y | A | -1.0267 | |
| 27 | A | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | E | A | -2.3012 | |
| 30 | W | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | R | A | -2.3429 | |
| 33 | G | A | -1.6943 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.2232 | |
| 36 | L | A | -0.5900 | |
| 37 | M | A | -1.0600 | |
| 38 | A | A | -1.8882 | |
| 39 | D | A | -3.3515 | |
| 40 | E | A | -3.1149 | |
| 41 | A | A | -2.2379 | |
| 42 | D | A | -2.2575 | |
| 43 | A | A | -1.3422 | |
| 44 | A | A | -0.2089 | |
| 45 | P | A | -0.2300 | |
| 46 | V | A | 0.3285 | |
| 47 | L | A | 0.2536 | |
| 48 | A | A | 0.2397 | |
| 49 | V | A | 0.1178 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | R | A | -1.1883 | |
| 54 | L | A | -0.1649 | |
| 55 | A | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | C | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | D | A | -2.3392 | |
| 61 | E | A | -2.5564 | |
| 62 | N | A | -2.3385 | |
| 63 | A | A | -1.7938 | |
| 64 | S | A | -1.2114 | |
| 65 | W | A | -1.1256 | |
| 66 | D | A | -1.6549 | |
| 67 | T | A | -0.9440 | |
| 68 | L | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | M | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | Y | A | -0.2984 | |
| 79 | A | A | -0.5267 | |
| 80 | E | A | -0.8378 | |
| 81 | Y | A | 0.0000 | |
| 82 | D | A | -1.0014 | |
| 83 | D | A | -1.0722 | |
| 84 | R | A | -1.2967 | |
| 85 | A | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | S | A | -0.5688 | |
| 89 | T | A | -0.7541 | |
| 90 | G | A | -0.6617 | |
| 91 | A | A | 0.1247 | |
| 92 | I | A | 0.9974 | |
| 93 | D | A | -1.0639 | |
| 94 | G | A | -0.7360 | |
| 95 | L | A | -0.7206 | |
| 96 | T | A | -0.8695 | |
| 97 | D | A | -1.4809 | |
| 98 | A | A | -1.4194 | |
| 99 | E | A | -2.3162 | |
| 100 | V | A | 0.0000 | |
| 101 | A | A | -2.2570 | |
| 102 | E | A | -2.9724 | |
| 103 | L | A | -2.0223 | |
| 104 | H | A | 0.0000 | |
| 105 | R | A | -2.8563 | |
| 106 | A | A | -2.2626 | |
| 107 | L | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | E | A | -2.9067 | |
| 110 | I | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | R | A | -2.9565 | |
| 113 | D | A | -3.7461 | |
| 114 | R | A | -3.5002 | |
| 115 | P | A | -2.2701 | |
| 116 | A | A | -1.8536 | |
| 117 | P | A | -1.7412 | |
| 118 | D | A | -1.6465 | |
| 119 | P | A | -1.4302 | |
| 120 | S | A | -1.1422 | |
| 121 | D | A | -1.1532 | |
| 122 | P | A | -0.8161 | |
| 123 | V | A | -0.6629 | |
| 124 | Q | A | 0.0000 | |
| 125 | R | A | -1.7242 | |
| 126 | G | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | -1.7145 | |
| 129 | D | A | -1.2878 | |
| 130 | V | A | 0.0000 | |
| 131 | W | A | 0.0000 | |
| 132 | R | A | -2.3565 | |
| 133 | T | A | -1.3781 | |
| 134 | L | A | 0.0000 | |
| 135 | N | A | -1.3526 | |
| 136 | G | A | -0.9202 | |
| 137 | L | A | -0.7123 | |
| 138 | A | A | -1.0580 | |
| 139 | S | A | -1.4039 | |
| 140 | D | A | -2.2852 | |
| 141 | W | A | -1.4992 | |
| 142 | D | A | -1.2107 | |
| 143 | R | A | -1.3826 | |
| 144 | A | A | -0.9242 | |
| 145 | A | A | -0.6764 | |
| 146 | F | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | D | A | -1.5069 | |
| 149 | T | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | L | A | -1.0016 | |
| 152 | R | A | -1.3560 | |
| 153 | Y | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | E | A | -1.7228 | |
| 156 | A | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | R | A | -1.3139 | |
| 159 | Y | A | -0.3420 | |
| 160 | E | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | V | A | -0.4510 | |
| 163 | N | A | 0.0000 | |
| 164 | I | A | -1.0522 | |
| 165 | R | A | -2.3555 | |
| 166 | R | A | -2.3151 | |
| 167 | G | A | -1.2017 | |
| 168 | I | A | 0.1692 | |
| 169 | P | A | 0.0000 | |
| 170 | P | A | -0.1188 | |
| 171 | T | A | -0.3492 | |
| 172 | P | A | -0.5003 | |
| 173 | S | A | -0.1926 | |
| 174 | A | A | -0.0739 | |
| 175 | H | A | 0.0000 | |
| 176 | I | A | -0.0127 | |
| 177 | G | A | -0.2719 | |
| 178 | M | A | -0.2581 | |
| 179 | R | A | -0.4056 | |
| 180 | R | A | -0.6604 | |
| 181 | H | A | -0.8875 | |
| 182 | G | A | 0.0000 | |
| 183 | G | A | -0.7036 | |
| 184 | H | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | Y | A | 0.2463 | |
| 187 | G | A | 0.0000 | |
| 188 | M | A | 0.2741 | |
| 189 | Y | A | 0.0000 | |
| 190 | I | A | 0.0950 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | A | A | -0.9728 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | -0.2345 | |
| 196 | N | A | -1.1793 | |
| 197 | G | A | -1.3486 | |
| 198 | Y | A | -1.7401 | |
| 199 | R | A | -2.8097 | |
| 200 | P | A | 0.0000 | |
| 201 | E | A | -3.0010 | |
| 202 | R | A | -3.7380 | |
| 203 | R | A | -3.4291 | |
| 204 | V | A | -2.2467 | |
| 205 | L | A | -2.1306 | |
| 206 | D | A | -3.0507 | |
| 207 | H | A | -2.1611 | |
| 208 | A | A | -1.3141 | |
| 209 | A | A | -1.1024 | |
| 210 | V | A | 0.0000 | |
| 211 | R | A | -2.2548 | |
| 212 | E | A | -2.2894 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | T | A | -0.9639 | |
| 216 | L | A | -0.4650 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | N | A | -0.1782 | |
| 220 | Y | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | S | A | -0.3552 | |
| 223 | W | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | N | A | -0.3998 | |
| 226 | D | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | H | A | 0.1875 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | A | A | -0.3076 | |
| 232 | R | A | -0.8696 | |
| 233 | E | A | 0.0000 | |
| 234 | H | A | -1.3092 | |
| 235 | R | A | -1.7785 | |
| 236 | M | A | -0.9617 | |
| 237 | G | A | -0.9808 | |
| 238 | Q | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | W | A | -0.0067 | |
| 245 | S | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | H | A | -1.4936 | |
| 248 | H | A | -1.3557 | |
| 249 | H | A | -1.7812 | |
| 250 | E | A | -2.3251 | |
| 251 | G | A | -1.6875 | |
| 252 | L | A | -1.3550 | |
| 253 | T | A | -0.9105 | |
| 254 | F | A | -0.5096 | |
| 255 | Q | A | -0.9033 | |
| 256 | Q | A | -1.8888 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | D | A | -2.5158 | |
| 260 | R | A | -2.5901 | |
| 261 | V | A | 0.0000 | |
| 262 | A | A | -2.4380 | |
| 263 | D | A | -3.3057 | |
| 264 | L | A | -2.0944 | |
| 265 | C | A | 0.0000 | |
| 266 | D | A | -3.4840 | |
| 267 | K | A | -2.9463 | |
| 268 | E | A | -1.8001 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | -1.3134 | |
| 271 | A | A | -1.3009 | |
| 272 | Y | A | 0.0000 | |
| 273 | L | A | -0.8293 | |
| 274 | E | A | -2.0732 | |
| 275 | L | A | -1.4482 | |
| 276 | R | A | -1.3736 | |
| 277 | Q | A | -2.1665 | |
| 278 | T | A | -1.5585 | |
| 279 | L | A | 0.0000 | |
| 280 | P | A | -1.2756 | |
| 281 | E | A | -1.8662 | |
| 282 | L | A | -0.3168 | |
| 283 | G | A | -0.6847 | |
| 284 | I | A | 0.0000 | |
| 285 | P | A | -0.4599 | |
| 286 | L | A | -0.5499 | |
| 287 | T | A | -0.4942 | |
| 288 | G | A | -1.1309 | |
| 289 | A | A | -1.5840 | |
| 290 | T | A | -1.1305 | |
| 291 | G | A | -1.2727 | |
| 292 | R | A | -2.5646 | |
| 293 | H | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | R | A | -1.8347 | |
| 296 | F | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | E | A | 0.0000 | |
| 299 | D | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | M | A | 0.0000 | |
| 302 | W | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | M | A | 0.0000 | |
| 305 | V | A | -0.5746 | |
| 306 | D | A | -0.6065 | |
| 307 | W | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | A | A | -0.9124 | |
| 310 | R | A | -1.9011 | |
| 311 | S | A | -1.1270 | |
| 312 | A | A | -0.4125 | |
| 313 | R | A | -0.6845 | |
| 314 | Y | A | -0.4199 | |
| 315 | D | A | -0.4410 | |
| 316 | V | A | 1.1854 | |
| 317 | V | A | 1.5513 | |
| 318 | P | A | -0.1008 | |
| 319 | E | A | -1.2731 | |
| 320 | A | A | -0.8459 | |
| 321 | A | A | -0.2748 |
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