| Chain sequence(s) |
A: DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCLLKGIAPLQLGNCSVAGWILGNPECELLISKESWSYIVETPNPENGTCYPGYFADYEELREQLSSVSSFERFEIFPKESSWPNHTVTGVSASCSHNGKSSFYRNLLWLTGKNGLYPNLSKSYVNNKEKEVLVLWGVHHPPNIGNQRALYHTENAYVSVVSSHYSRRFTPEIAKRPKVRDQEGRINYYWTLLEPGDTIIFEANGNLIAPWYAFALSRGFGSGIITSNAPMDECDAKCQTPQGAINSSLPFQNVHPVTIGECPKYVRSAKLRMVTGLRNIPS
B: FIEGGWTGMVDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSVIEKMNTQFTAVGKEFNKLERRMENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCNNECMESVKNGTYDYPKYSEESKLNRE input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:11:52)
[INFO] Main: Simulation completed successfully. (00:11:57)
|
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 | |
| 11 | D | A | -2.3478 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | C | A | -0.1799 | |
| 15 | I | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | Y | A | 0.3158 | |
| 18 | H | A | 0.1503 | |
| 19 | A | A | 0.0000 | |
| 20 | N | A | -0.7420 | |
| 21 | N | A | -1.4257 | |
| 22 | S | A | -0.9653 | |
| 23 | T | A | -0.8452 | |
| 24 | D | A | -1.1775 | |
| 25 | T | A | -1.3422 | |
| 26 | V | A | 0.0000 | |
| 27 | D | A | -1.0800 | |
| 28 | T | A | 0.0000 | |
| 29 | V | A | 1.8573 | |
| 30 | L | A | 1.6538 | |
| 31 | E | A | -0.6321 | |
| 32 | K | A | -2.0571 | |
| 33 | N | A | -2.4270 | |
| 34 | V | A | 0.0000 | |
| 35 | T | A | -0.9767 | |
| 36 | V | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | H | A | -0.6518 | |
| 39 | S | A | -0.4179 | |
| 40 | V | A | -0.0933 | |
| 41 | N | A | -0.7506 | |
| 42 | L | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -1.7010 | |
| 45 | D | A | -2.4195 | |
| 46 | S | A | -1.9721 | |
| 47 | H | A | -2.4511 | |
| 48 | N | A | -2.3940 | |
| 49 | G | A | -1.9571 | |
| 50 | K | A | -2.3132 | |
| 51 | L | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | L | A | -1.1481 | |
| 54 | L | A | 0.0000 | |
| 54A | K | A | -2.0628 | |
| 55 | G | A | -1.1478 | |
| 56 | I | A | 0.6840 | |
| 57 | A | A | -0.0906 | |
| 58 | P | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.9536 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | -1.4010 | |
| 63 | N | A | -2.5191 | |
| 64 | C | A | 0.0000 | |
| 65 | S | A | -1.0725 | |
| 66 | V | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | W | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | N | A | 0.0000 | |
| 74 | P | A | 0.0000 | |
| 75 | E | A | -1.9075 | |
| 76 | C | A | 0.0000 | |
| 77 | E | A | -0.5201 | |
| 78 | L | A | 0.8197 | |
| 79 | L | A | -0.0878 | |
| 80 | I | A | 0.0474 | |
| 81 | S | A | -0.9766 | |
| 82 | K | A | -1.9691 | |
| 83 | E | A | -2.9530 | |
| 83A | S | A | -1.5070 | |
| 84 | W | A | 0.0000 | |
| 85 | S | A | 0.3326 | |
| 86 | Y | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | V | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | T | A | -1.6274 | |
| 91 | P | A | -1.4863 | |
| 92 | N | A | -2.2433 | |
| 93 | P | A | -2.2236 | |
| 94 | E | A | -2.7094 | |
| 95 | N | A | -1.9513 | |
| 95A | G | A | -0.9891 | |
| 96 | T | A | -0.1831 | |
| 97 | C | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | G | A | 0.4226 | |
| 101 | Y | A | 1.0172 | |
| 102 | F | A | 0.3534 | |
| 103 | A | A | -0.6322 | |
| 104 | D | A | -2.2229 | |
| 105 | Y | A | -1.7277 | |
| 106 | E | A | -3.0084 | |
| 107 | E | A | -3.6817 | |
| 108 | L | A | 0.0000 | |
| 109 | R | A | -2.5531 | |
| 110 | E | A | -3.3473 | |
| 111 | Q | A | -1.8473 | |
| 112 | L | A | 0.0000 | |
| 113 | S | A | -1.0173 | |
| 114 | S | A | -0.3866 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -0.4793 | |
| 117 | S | A | -1.6067 | |
| 118 | F | A | 0.0000 | |
| 119 | E | A | -2.9055 | |
| 120 | R | A | -1.8185 | |
| 121 | F | A | -0.8593 | |
| 122 | E | A | -0.9332 | |
| 123 | I | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | P | A | -1.0547 | |
| 126 | K | A | -1.4408 | |
| 127 | E | A | -2.1627 | |
| 128 | S | A | -1.3315 | |
| 129 | S | A | -1.0199 | |
| 130 | W | A | 0.0000 | |
| 131 | P | A | -1.3705 | |
| 132 | N | A | -1.7228 | |
| 133 | H | A | 0.0000 | |
| 134 | T | A | -0.7256 | |
| 135 | V | A | -0.3255 | |
| 135A | T | A | 0.2802 | |
| 135B | G | A | 0.5729 | |
| 135C | V | A | 1.0153 | |
| 136 | S | A | 0.0000 | |
| 137 | A | A | -0.7120 | |
| 138 | S | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | S | A | -1.2295 | |
| 141 | H | A | -1.9888 | |
| 142 | N | A | -2.3217 | |
| 143 | G | A | -2.0225 | |
| 144 | K | A | -2.2573 | |
| 145 | S | A | -0.8650 | |
| 146 | S | A | -0.2927 | |
| 147 | F | A | 0.2322 | |
| 148 | Y | A | 0.0000 | |
| 149 | R | A | -0.5174 | |
| 150 | N | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | W | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | -0.2359 | |
| 156 | G | A | -0.9708 | |
| 157 | K | A | -1.6147 | |
| 158 | N | A | -1.6671 | |
| 159 | G | A | -0.7855 | |
| 160 | L | A | 0.0715 | |
| 161 | Y | A | 0.0000 | |
| 162 | P | A | -0.8721 | |
| 163 | N | A | -1.5414 | |
| 164 | L | A | 0.0000 | |
| 165 | S | A | -0.9660 | |
| 166 | K | A | -0.6095 | |
| 167 | S | A | 0.0696 | |
| 168 | Y | A | 0.3792 | |
| 169 | V | A | 0.3198 | |
| 170 | N | A | 0.0000 | |
| 171 | N | A | -2.4179 | |
| 172 | K | A | -2.8849 | |
| 173 | E | A | -3.3998 | |
| 174 | K | A | -2.8867 | |
| 175 | E | A | -2.1302 | |
| 176 | V | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | W | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | H | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | P | A | -1.4931 | |
| 187 | N | A | -1.0415 | |
| 188 | I | A | -0.3178 | |
| 189 | G | A | -1.1913 | |
| 190 | N | A | -1.3245 | |
| 191 | Q | A | 0.0000 | |
| 192 | R | A | -2.8406 | |
| 193 | A | A | -1.3779 | |
| 194 | L | A | -0.6037 | |
| 195 | Y | A | 0.0000 | |
| 196 | H | A | -2.1512 | |
| 197 | T | A | -2.0178 | |
| 198 | E | A | -2.9251 | |
| 199 | N | A | -2.4997 | |
| 200 | A | A | 0.0000 | |
| 201 | Y | A | -0.8387 | |
| 202 | V | A | 0.0000 | |
| 203 | S | A | -1.1954 | |
| 204 | V | A | 0.0000 | |
| 205 | V | A | -0.2165 | |
| 206 | S | A | -0.2707 | |
| 207 | S | A | -0.7818 | |
| 208 | H | A | -1.1865 | |
| 209 | Y | A | -0.4938 | |
| 210 | S | A | -1.1526 | |
| 211 | R | A | -2.1674 | |
| 212 | R | A | -2.4574 | |
| 213 | F | A | -1.2803 | |
| 214 | T | A | -1.0762 | |
| 215 | P | A | -1.1243 | |
| 216 | E | A | -1.7477 | |
| 217 | I | A | -0.8025 | |
| 218 | A | A | -1.1577 | |
| 219 | K | A | -2.4083 | |
| 220 | R | A | -1.8350 | |
| 221 | P | A | -1.9919 | |
| 222 | K | A | -3.0383 | |
| 223 | V | A | -1.7157 | |
| 224 | R | A | -2.8001 | |
| 225 | D | A | -3.1690 | |
| 226 | Q | A | -2.5268 | |
| 227 | E | A | -2.5213 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | -0.7235 | |
| 230 | I | A | 0.0000 | |
| 231 | N | A | 0.2327 | |
| 232 | Y | A | 0.0000 | |
| 233 | Y | A | 0.1141 | |
| 234 | W | A | 0.0229 | |
| 235 | T | A | 0.0000 | |
| 236 | L | A | -0.3220 | |
| 237 | L | A | 0.0000 | |
| 238 | E | A | -2.8343 | |
| 239 | P | A | -2.6388 | |
| 240 | G | A | -1.8621 | |
| 241 | D | A | -1.1858 | |
| 242 | T | A | -0.1682 | |
| 243 | I | A | 0.0000 | |
| 244 | I | A | 0.5226 | |
| 245 | F | A | 0.0000 | |
| 246 | E | A | -1.2257 | |
| 247 | A | A | 0.0000 | |
| 248 | N | A | -1.1603 | |
| 249 | G | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | W | A | -0.1050 | |
| 256 | Y | A | -0.4246 | |
| 257 | A | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -1.3184 | |
| 262 | R | A | -0.8281 | |
| 263 | G | A | 0.1745 | |
| 264 | F | A | 1.5014 | |
| 264A | G | A | 0.8202 | |
| 265 | S | A | 0.3710 | |
| 266 | G | A | 0.0000 | |
| 267 | I | A | -0.2527 | |
| 268 | I | A | 0.0000 | |
| 269 | T | A | -0.5811 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -1.7716 | |
| 272 | A | A | -1.4390 | |
| 273 | P | A | -0.9653 | |
| 274 | M | A | -0.9556 | |
| 275 | D | A | -2.0420 | |
| 276 | E | A | -2.6088 | |
| 277 | C | A | -2.2781 | |
| 278 | D | A | -2.8544 | |
| 279 | A | A | -2.1715 | |
| 280 | K | A | -2.3997 | |
| 281 | C | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | Q | A | -1.7902 | |
| 286 | G | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | N | A | -2.0274 | |
| 290 | S | A | -1.2716 | |
| 291 | S | A | -0.5268 | |
| 292 | L | A | 0.0780 | |
| 293 | P | A | -0.5260 | |
| 294 | F | A | 0.0000 | |
| 295 | Q | A | 0.0000 | |
| 296 | N | A | -1.6962 | |
| 297 | V | A | -1.1160 | |
| 298 | H | A | -0.7413 | |
| 299 | P | A | -0.4712 | |
| 300 | V | A | 0.4038 | |
| 301 | T | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | -0.9787 | |
| 304 | E | A | -1.6199 | |
| 305 | C | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | K | A | -0.5655 | |
| 308 | Y | A | -0.4191 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.2655 | |
| 311 | S | A | -1.6708 | |
| 312 | A | A | -1.5384 | |
| 313 | K | A | -2.5766 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -1.2600 | |
| 316 | M | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | T | A | -0.1405 | |
| 319 | G | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -0.7284 | |
| 322 | N | A | -0.2166 | |
| 323 | I | A | 0.6330 | |
| 324 | P | A | -0.1702 | |
| 325 | S | A | -0.2720 | |
| 9 | F | B | -0.2330 | |
| 10 | I | B | -0.4679 | |
| 11 | E | B | -1.3744 | |
| 12 | G | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | W | B | 0.2063 | |
| 15 | T | B | -0.0682 | |
| 16 | G | B | -0.1218 | |
| 17 | M | B | 0.0000 | |
| 18 | V | B | 0.8738 | |
| 19 | D | B | -1.0277 | |
| 20 | G | B | -0.8497 | |
| 21 | W | B | -0.1700 | |
| 22 | Y | B | 0.0000 | |
| 23 | G | B | 0.0000 | |
| 24 | Y | B | 0.0000 | |
| 25 | H | B | -0.1603 | |
| 26 | H | B | -1.1448 | |
| 27 | Q | B | -2.2732 | |
| 28 | N | B | -2.9587 | |
| 29 | E | B | -3.4009 | |
| 30 | Q | B | -2.7726 | |
| 31 | G | B | -2.0692 | |
| 32 | S | B | -1.5247 | |
| 33 | G | B | -0.4094 | |
| 34 | Y | B | 0.4023 | |
| 35 | A | B | -0.1021 | |
| 36 | A | B | 0.0000 | |
| 37 | D | B | -1.7267 | |
| 38 | Q | B | -2.6851 | |
| 39 | K | B | -2.9880 | |
| 40 | S | B | -2.0524 | |
| 41 | T | B | 0.0000 | |
| 42 | Q | B | -2.5849 | |
| 43 | N | B | -2.6789 | |
| 44 | A | B | 0.0000 | |
| 45 | I | B | -1.1445 | |
| 46 | N | B | -2.1202 | |
| 47 | G | B | -1.5402 | |
| 48 | I | B | 0.0000 | |
| 49 | T | B | -1.5487 | |
| 50 | N | B | -2.2067 | |
| 51 | K | B | -1.6455 | |
| 52 | V | B | 0.0000 | |
| 53 | N | B | -2.3793 | |
| 54 | S | B | -2.0747 | |
| 55 | V | B | 0.0000 | |
| 56 | I | B | -1.3682 | |
| 57 | E | B | -3.0207 | |
| 58 | K | B | -2.9304 | |
| 59 | M | B | 0.0000 | |
| 60 | N | B | -1.8350 | |
| 61 | T | B | -0.9538 | |
| 62 | Q | B | 0.0000 | |
| 63 | F | B | 1.2424 | |
| 64 | T | B | 0.9428 | |
| 65 | A | B | 0.5325 | |
| 66 | V | B | -0.0174 | |
| 67 | G | B | -1.9252 | |
| 68 | K | B | -3.5525 | |
| 69 | E | B | -3.3002 | |
| 70 | F | B | -2.6961 | |
| 71 | N | B | -2.0233 | |
| 72 | K | B | -2.1447 | |
| 73 | L | B | -0.7479 | |
| 74 | E | B | -2.6180 | |
| 75 | R | B | -3.4886 | |
| 76 | R | B | -3.0351 | |
| 77 | M | B | -2.2132 | |
| 78 | E | B | -3.6679 | |
| 79 | N | B | -2.6746 | |
| 80 | L | B | -1.5799 | |
| 81 | N | B | -2.6752 | |
| 82 | K | B | -3.8105 | |
| 83 | K | B | -2.9710 | |
| 84 | V | B | -1.3766 | |
| 85 | D | B | -2.9782 | |
| 86 | D | B | -2.9838 | |
| 87 | G | B | -1.1502 | |
| 88 | F | B | 1.1202 | |
| 89 | L | B | -0.4057 | |
| 90 | D | B | -0.8922 | |
| 91 | I | B | 1.9882 | |
| 92 | W | B | 1.2205 | |
| 93 | T | B | 0.0000 | |
| 94 | Y | B | 1.1718 | |
| 95 | N | B | 0.3727 | |
| 96 | A | B | 0.0000 | |
| 97 | E | B | -0.8619 | |
| 98 | L | B | 0.7445 | |
| 99 | L | B | 0.3906 | |
| 100 | V | B | 0.0000 | |
| 101 | L | B | 0.4032 | |
| 102 | L | B | 0.5151 | |
| 103 | E | B | -0.6279 | |
| 104 | N | B | 0.0000 | |
| 105 | E | B | -1.1929 | |
| 106 | R | B | -2.5041 | |
| 107 | T | B | 0.0000 | |
| 108 | L | B | -1.9176 | |
| 109 | D | B | -2.9410 | |
| 110 | F | B | -1.4491 | |
| 111 | H | B | 0.0000 | |
| 112 | D | B | -2.7666 | |
| 113 | S | B | -1.9650 | |
| 114 | N | B | -1.8191 | |
| 115 | V | B | 0.0000 | |
| 116 | K | B | -2.6506 | |
| 117 | N | B | -3.0086 | |
| 118 | L | B | 0.0000 | |
| 119 | Y | B | 0.0000 | |
| 120 | E | B | -3.1653 | |
| 121 | K | B | -2.3858 | |
| 122 | V | B | 0.0000 | |
| 123 | K | B | -2.9960 | |
| 124 | S | B | -2.0351 | |
| 125 | Q | B | -1.8580 | |
| 126 | L | B | 0.0000 | |
| 127 | K | B | -2.9827 | |
| 128 | N | B | -2.9429 | |
| 129 | N | B | 0.0000 | |
| 130 | A | B | 0.0000 | |
| 131 | K | B | -2.6939 | |
| 132 | E | B | -2.8844 | |
| 133 | I | B | -0.9422 | |
| 134 | G | B | -1.1144 | |
| 135 | N | B | -1.4355 | |
| 136 | G | B | 0.0000 | |
| 137 | C | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | E | B | -1.6899 | |
| 140 | F | B | 0.0000 | |
| 141 | Y | B | -1.7534 | |
| 142 | H | B | 0.0000 | |
| 143 | K | B | -2.4465 | |
| 144 | C | B | 0.0000 | |
| 145 | N | B | -3.0884 | |
| 146 | N | B | -3.1900 | |
| 147 | E | B | -2.9986 | |
| 148 | C | B | 0.0000 | |
| 149 | M | B | 0.0000 | |
| 150 | E | B | -3.3843 | |
| 151 | S | B | -2.5113 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | -2.0933 | |
| 154 | N | B | -2.4925 | |
| 155 | G | B | -1.8398 | |
| 156 | T | B | -1.3464 | |
| 157 | Y | B | -1.7202 | |
| 158 | D | B | -1.8393 | |
| 159 | Y | B | -1.7467 | |
| 160 | P | B | -1.8299 | |
| 161 | K | B | -2.5136 | |
| 162 | Y | B | -2.2694 | |
| 163 | S | B | -2.4324 | |
| 164 | E | B | -2.7779 | |
| 165 | E | B | -2.3862 | |
| 166 | S | B | 0.0000 | |
| 167 | K | B | -2.7706 | |
| 168 | L | B | -1.2547 | |
| 169 | N | B | -2.4692 | |
| 170 | R | B | -2.8663 | |
| 171 | E | B | -2.4998 |
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