| Chain sequence(s) |
A: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCGGGGCNTKCQTPLGAINSSLPYQNIHPVTIGECPKYVRSAKLRMVTGLRNTPSIQSRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNTVIEKMNIQFTAVGKEFNKLEKRMENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECMESVRNGTYDYPKYSEESKLNREKVDGVRSLVPRGSPGSGYIPEAPRDGQAYVRKKDGEWVLLSTFLHHHHHH
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 (00:06:17)
[INFO] Main: Simulation completed successfully. (00:06:20)
|
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 | D | A | -2.4565 | |
| 2 | T | A | -1.3844 | |
| 3 | I | A | 0.0000 | |
| 4 | C | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | Y | A | 0.2508 | |
| 8 | H | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | N | A | -0.8597 | |
| 11 | N | A | -1.5680 | |
| 12 | S | A | -1.0889 | |
| 13 | T | A | -0.9597 | |
| 14 | D | A | -1.2360 | |
| 15 | T | A | -1.5001 | |
| 16 | V | A | 0.0000 | |
| 17 | D | A | -1.9028 | |
| 18 | T | A | 0.0000 | |
| 19 | V | A | 0.7347 | |
| 20 | L | A | 0.9823 | |
| 21 | E | A | -1.3022 | |
| 22 | K | A | -2.5513 | |
| 23 | N | A | -2.6116 | |
| 24 | V | A | 0.0000 | |
| 25 | T | A | -1.2172 | |
| 26 | V | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | H | A | -0.6719 | |
| 29 | S | A | -0.4384 | |
| 30 | V | A | -0.0860 | |
| 31 | N | A | -0.8609 | |
| 32 | L | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | E | A | -1.6642 | |
| 35 | D | A | -2.3157 | |
| 36 | S | A | -1.8114 | |
| 37 | H | A | -1.9049 | |
| 38 | N | A | -1.6759 | |
| 39 | G | A | -1.2448 | |
| 40 | K | A | -1.3987 | |
| 41 | L | A | 0.3231 | |
| 42 | C | A | -0.7400 | |
| 43 | G | A | -0.8512 | |
| 44 | G | A | -0.9503 | |
| 45 | G | A | -1.2303 | |
| 46 | G | A | -1.0627 | |
| 47 | C | A | -0.9323 | |
| 48 | N | A | -1.7335 | |
| 49 | T | A | -1.8329 | |
| 50 | K | A | -2.1698 | |
| 51 | C | A | 0.0000 | |
| 52 | Q | A | -0.3859 | |
| 53 | T | A | 0.0000 | |
| 54 | P | A | 0.5488 | |
| 55 | L | A | 0.5279 | |
| 56 | G | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | N | A | -1.9911 | |
| 60 | S | A | -1.1193 | |
| 61 | S | A | -0.5241 | |
| 62 | L | A | -0.2032 | |
| 63 | P | A | -0.3965 | |
| 64 | Y | A | 0.0000 | |
| 65 | Q | A | 0.0000 | |
| 66 | N | A | -1.6401 | |
| 67 | I | A | -0.7536 | |
| 68 | H | A | -0.3650 | |
| 69 | P | A | -0.2782 | |
| 70 | V | A | 1.0344 | |
| 71 | T | A | 1.0262 | |
| 72 | I | A | 1.4219 | |
| 73 | G | A | -0.7426 | |
| 74 | E | A | -2.0209 | |
| 75 | C | A | -0.9594 | |
| 76 | P | A | 0.0000 | |
| 77 | K | A | -0.4209 | |
| 78 | Y | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | R | A | -2.3446 | |
| 81 | S | A | 0.0000 | |
| 82 | A | A | -1.5334 | |
| 83 | K | A | -2.5891 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -1.3308 | |
| 86 | M | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | T | A | -0.1671 | |
| 89 | G | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -1.3535 | |
| 92 | N | A | -1.0275 | |
| 93 | T | A | -0.5603 | |
| 94 | P | A | -0.4957 | |
| 95 | S | A | 0.2226 | |
| 96 | I | A | 0.7584 | |
| 97 | Q | A | -1.2065 | |
| 98 | S | A | -0.9571 | |
| 99 | R | A | -1.4058 | |
| 100 | G | A | -0.1627 | |
| 101 | L | A | 1.7548 | |
| 102 | F | A | 2.1478 | |
| 103 | G | A | 0.2488 | |
| 104 | A | A | 0.2236 | |
| 105 | I | A | -0.4908 | |
| 106 | A | A | -0.2372 | |
| 107 | G | A | 0.0000 | |
| 108 | F | A | 0.1769 | |
| 109 | I | A | 1.0574 | |
| 110 | E | A | -0.7181 | |
| 111 | G | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | T | A | -0.0436 | |
| 115 | G | A | -0.1058 | |
| 116 | M | A | 0.0000 | |
| 117 | I | A | 1.1084 | |
| 118 | D | A | -0.9538 | |
| 119 | G | A | 0.0000 | |
| 120 | W | A | -0.0850 | |
| 121 | Y | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | H | A | 0.0000 | |
| 125 | H | A | -0.7048 | |
| 126 | Q | A | -1.6278 | |
| 127 | N | A | -2.6599 | |
| 128 | E | A | -3.2810 | |
| 129 | Q | A | -2.7249 | |
| 130 | G | A | -1.9243 | |
| 131 | S | A | -1.1262 | |
| 132 | G | A | -0.2976 | |
| 133 | Y | A | 0.2833 | |
| 134 | A | A | -0.2261 | |
| 135 | A | A | -0.6465 | |
| 136 | D | A | -1.7138 | |
| 137 | Q | A | -2.6483 | |
| 138 | K | A | -3.0578 | |
| 139 | S | A | -2.0305 | |
| 140 | T | A | 0.0000 | |
| 141 | Q | A | -2.6084 | |
| 142 | N | A | -2.6603 | |
| 143 | A | A | 0.0000 | |
| 144 | I | A | -0.9351 | |
| 145 | N | A | -2.0469 | |
| 146 | G | A | -1.5685 | |
| 147 | I | A | 0.0000 | |
| 148 | T | A | -1.4394 | |
| 149 | N | A | -2.1206 | |
| 150 | K | A | -1.5921 | |
| 151 | V | A | -1.1452 | |
| 152 | N | A | -2.3330 | |
| 153 | T | A | -2.0393 | |
| 154 | V | A | 0.0000 | |
| 155 | I | A | -1.7027 | |
| 156 | E | A | -2.8886 | |
| 157 | K | A | -2.5346 | |
| 158 | M | A | 0.0000 | |
| 159 | N | A | -1.1951 | |
| 160 | I | A | 0.8919 | |
| 161 | Q | A | 0.0000 | |
| 162 | F | A | 1.2817 | |
| 163 | T | A | 1.1438 | |
| 164 | A | A | 0.0000 | |
| 165 | V | A | 1.3154 | |
| 166 | G | A | -0.5706 | |
| 167 | K | A | -2.4101 | |
| 168 | E | A | -2.9971 | |
| 169 | F | A | -2.7091 | |
| 170 | N | A | -2.4798 | |
| 171 | K | A | -2.7386 | |
| 172 | L | A | -0.8023 | |
| 173 | E | A | -2.5084 | |
| 174 | K | A | -3.4335 | |
| 175 | R | A | -3.0680 | |
| 176 | M | A | -1.8155 | |
| 177 | E | A | -3.3231 | |
| 178 | N | A | -2.8559 | |
| 179 | L | A | -1.7436 | |
| 180 | N | A | 0.0000 | |
| 181 | K | A | -3.2631 | |
| 182 | K | A | -2.7250 | |
| 183 | V | A | -1.1775 | |
| 184 | D | A | -1.4223 | |
| 185 | D | A | -2.5741 | |
| 186 | G | A | -1.1313 | |
| 187 | F | A | 0.4964 | |
| 188 | L | A | 0.0000 | |
| 189 | D | A | -1.1461 | |
| 190 | I | A | 1.3525 | |
| 191 | W | A | 0.6752 | |
| 192 | T | A | 0.0000 | |
| 193 | Y | A | 0.9150 | |
| 194 | N | A | 0.2145 | |
| 195 | A | A | 0.0000 | |
| 196 | E | A | -0.5325 | |
| 197 | L | A | 0.7288 | |
| 198 | L | A | 0.3145 | |
| 199 | V | A | 0.0000 | |
| 200 | L | A | 0.0817 | |
| 201 | L | A | 0.3793 | |
| 202 | E | A | -0.6261 | |
| 203 | N | A | 0.0000 | |
| 204 | E | A | -1.1451 | |
| 205 | R | A | -1.9927 | |
| 206 | T | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | D | A | -2.8184 | |
| 209 | F | A | -1.3979 | |
| 210 | H | A | 0.0000 | |
| 211 | D | A | -2.9784 | |
| 212 | S | A | -2.0499 | |
| 213 | N | A | -1.9791 | |
| 214 | V | A | 0.0000 | |
| 215 | K | A | -2.8260 | |
| 216 | N | A | -3.0612 | |
| 217 | L | A | 0.0000 | |
| 218 | Y | A | -2.0543 | |
| 219 | E | A | -3.2526 | |
| 220 | K | A | -2.3698 | |
| 221 | V | A | 0.0000 | |
| 222 | K | A | -2.9853 | |
| 223 | S | A | -2.1158 | |
| 224 | Q | A | -1.8630 | |
| 225 | L | A | 0.0000 | |
| 226 | K | A | -2.7696 | |
| 227 | N | A | -2.5539 | |
| 228 | N | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -2.4613 | |
| 231 | E | A | -2.0243 | |
| 232 | I | A | -0.4238 | |
| 233 | G | A | -0.2682 | |
| 234 | N | A | -0.0815 | |
| 235 | G | A | 0.0000 | |
| 236 | C | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | E | A | -1.9088 | |
| 239 | F | A | 0.0000 | |
| 240 | Y | A | -1.5881 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -2.5646 | |
| 243 | C | A | 0.0000 | |
| 244 | D | A | -3.1332 | |
| 245 | N | A | -2.9522 | |
| 246 | E | A | -2.7769 | |
| 247 | C | A | 0.0000 | |
| 248 | M | A | 0.0000 | |
| 249 | E | A | -2.4344 | |
| 250 | S | A | -2.0041 | |
| 251 | V | A | 0.0000 | |
| 252 | R | A | -1.5433 | |
| 253 | N | A | -1.9267 | |
| 254 | G | A | -1.3721 | |
| 255 | T | A | -1.0853 | |
| 256 | Y | A | 0.0000 | |
| 257 | D | A | -1.9230 | |
| 258 | Y | A | -1.6402 | |
| 259 | P | A | -1.7386 | |
| 260 | K | A | -2.5709 | |
| 261 | Y | A | -2.2200 | |
| 262 | S | A | -2.2761 | |
| 263 | E | A | -2.8121 | |
| 264 | E | A | -2.4685 | |
| 265 | S | A | 0.0000 | |
| 266 | K | A | -2.8479 | |
| 267 | L | A | -1.2836 | |
| 268 | N | A | -2.1439 | |
| 269 | R | A | -3.1355 | |
| 270 | E | A | -3.3913 | |
| 271 | K | A | -2.7717 | |
| 272 | V | A | -1.4332 | |
| 273 | D | A | -2.7408 | |
| 274 | G | A | -1.3638 | |
| 275 | V | A | 0.4301 | |
| 276 | R | A | -1.4531 | |
| 277 | S | A | -0.4476 | |
| 278 | L | A | 1.2574 | |
| 279 | V | A | 0.4525 | |
| 280 | P | A | -0.8539 | |
| 281 | R | A | -2.1748 | |
| 282 | G | A | -1.5451 | |
| 283 | S | A | -1.2691 | |
| 284 | P | A | -1.1028 | |
| 285 | G | A | -0.7826 | |
| 286 | S | A | -0.3183 | |
| 287 | G | A | 0.4235 | |
| 288 | Y | A | 1.6253 | |
| 289 | I | A | 1.5520 | |
| 290 | P | A | -0.0988 | |
| 291 | E | A | -1.7331 | |
| 292 | A | A | -1.7705 | |
| 293 | P | A | -2.1901 | |
| 294 | R | A | -3.4293 | |
| 295 | D | A | -3.2961 | |
| 296 | G | A | -2.4706 | |
| 297 | Q | A | -2.1480 | |
| 298 | A | A | -0.6563 | |
| 299 | Y | A | -0.5703 | |
| 300 | V | A | -0.2387 | |
| 301 | R | A | -2.4618 | |
| 302 | K | A | -3.5046 | |
| 303 | K | A | -3.7429 | |
| 304 | D | A | -3.7794 | |
| 305 | G | A | -2.4849 | |
| 306 | E | A | -3.1477 | |
| 307 | W | A | -1.4151 | |
| 308 | V | A | -0.0006 | |
| 309 | L | A | 0.8992 | |
| 310 | L | A | 0.9575 | |
| 311 | S | A | 0.3290 | |
| 312 | T | A | 0.2780 | |
| 313 | F | A | 0.3947 | |
| 314 | L | A | 0.1495 | |
| 315 | H | A | -1.6307 | |
| 316 | H | A | -2.1996 | |
| 317 | H | A | -2.3145 | |
| 318 | H | A | -2.5184 | |
| 319 | H | A | -2.6247 | |
| 320 | H | A | -2.3110 |
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