| Chain sequence(s) |
A: DTIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYTNRPTDINPNVTQAQDTLTNNTNEPYTTTTTITGSFTNTSTVTSSTTTGFKFTSKLSIKKWFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYYWYNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL
B: MDVIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYVNRPTDINPNVILAQDTLTNNTNEPFTTTITITGSFTNTSTVTSSTTTGFKFTSKLSIKKVFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYFWFNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WT181A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.147182 kcal/mol |
| 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 all 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] FoldX: Building mutant model (00:01:14)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:18)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:33)
[INFO] Main: Simulation completed successfully. (00:02:36)
|
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 | |
| 52 | D | A | -2.1475 | |
| 53 | T | A | -1.4181 | |
| 54 | I | A | 0.0000 | |
| 55 | R | A | -2.0171 | |
| 56 | E | A | -0.7504 | |
| 57 | Y | A | 0.1385 | |
| 58 | L | A | 0.0000 | |
| 59 | M | A | -0.4567 | |
| 60 | F | A | 0.0000 | |
| 61 | N | A | -1.4143 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | S | A | -0.7891 | |
| 65 | A | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | S | A | -0.7098 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -1.2447 | |
| 70 | P | A | -1.1852 | |
| 71 | E | A | -2.0817 | |
| 72 | S | A | -1.6882 | |
| 73 | V | A | 0.0000 | |
| 74 | R | A | -1.6837 | |
| 75 | S | A | -1.7441 | |
| 76 | R | A | -1.9152 | |
| 77 | F | A | 0.0000 | |
| 78 | S | A | -1.1649 | |
| 79 | S | A | -0.6667 | |
| 80 | I | A | -0.0203 | |
| 81 | Y | A | -0.3933 | |
| 82 | G | A | -0.7025 | |
| 83 | T | A | -1.3629 | |
| 84 | N | A | -1.9203 | |
| 85 | P | A | 0.0000 | |
| 86 | D | A | -1.1707 | |
| 87 | G | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -1.9162 | |
| 93 | E | A | -1.7140 | |
| 94 | T | A | -0.8000 | |
| 95 | Y | A | 0.0897 | |
| 96 | F | A | -0.0008 | |
| 97 | N | A | -1.0885 | |
| 98 | A | A | -0.7198 | |
| 99 | V | A | -0.5370 | |
| 100 | K | A | -2.1432 | |
| 101 | P | A | -1.7407 | |
| 102 | P | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | A | A | -0.6438 | |
| 106 | Q | A | -0.7283 | |
| 107 | Y | A | 0.9445 | |
| 108 | G | A | 0.3353 | |
| 109 | Y | A | 0.8631 | |
| 110 | Y | A | 0.8150 | |
| 111 | C | A | 0.0000 | |
| 112 | Y | A | -0.0248 | |
| 113 | K | A | 0.0000 | |
| 114 | N | A | -1.0329 | |
| 115 | V | A | 0.0000 | |
| 116 | G | A | -0.9071 | |
| 117 | T | A | -0.6915 | |
| 118 | V | A | -1.0033 | |
| 119 | Q | A | -1.1439 | |
| 120 | Y | A | -1.0424 | |
| 121 | T | A | -1.1998 | |
| 122 | N | A | -1.9586 | |
| 123 | R | A | -2.3455 | |
| 124 | P | A | -1.7132 | |
| 125 | T | A | -2.0712 | |
| 126 | D | A | -2.5141 | |
| 127 | I | A | -1.5606 | |
| 128 | N | A | -2.1210 | |
| 129 | P | A | -1.6090 | |
| 130 | N | A | -1.7089 | |
| 131 | V | A | -0.6867 | |
| 132 | T | A | -0.5702 | |
| 133 | Q | A | -0.6000 | |
| 134 | A | A | -0.9945 | |
| 135 | Q | A | -1.7891 | |
| 136 | D | A | -1.7495 | |
| 137 | T | A | -1.2200 | |
| 138 | L | A | -0.7655 | |
| 139 | T | A | -1.1594 | |
| 140 | N | A | 0.0000 | |
| 141 | N | A | -2.0951 | |
| 142 | T | A | -2.1179 | |
| 143 | N | A | -2.7063 | |
| 144 | E | A | -2.7784 | |
| 145 | P | A | -1.4776 | |
| 146 | Y | A | -0.2266 | |
| 147 | T | A | 0.0682 | |
| 148 | T | A | 0.0111 | |
| 149 | T | A | -0.2129 | |
| 150 | T | A | -0.2655 | |
| 151 | T | A | -0.3710 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -0.5428 | |
| 154 | G | A | 0.0000 | |
| 155 | S | A | -0.2221 | |
| 156 | F | A | -0.0544 | |
| 157 | T | A | -0.2632 | |
| 158 | N | A | -0.3375 | |
| 159 | T | A | -0.3927 | |
| 160 | S | A | -0.7004 | |
| 161 | T | A | -0.4385 | |
| 162 | V | A | 0.0000 | |
| 163 | T | A | -0.7303 | |
| 164 | S | A | 0.0000 | |
| 165 | S | A | -1.0337 | |
| 166 | T | A | -0.9123 | |
| 167 | T | A | -0.4748 | |
| 168 | T | A | -0.5319 | |
| 169 | G | A | -0.8812 | |
| 170 | F | A | 0.0000 | |
| 171 | K | A | -1.6372 | |
| 172 | F | A | 0.0000 | |
| 173 | T | A | -1.0079 | |
| 174 | S | A | -1.6326 | |
| 175 | K | A | -2.0939 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | -1.5415 | |
| 178 | I | A | 0.0000 | |
| 179 | K | A | -2.4023 | |
| 180 | K | A | -1.9470 | |
| 181 | T | A | -1.7875 | mutated: WT181A |
| 182 | F | A | 0.0000 | |
| 183 | E | A | -2.0120 | |
| 184 | I | A | -0.8980 | |
| 185 | G | A | -1.1207 | |
| 186 | G | A | -1.3841 | |
| 187 | E | A | -2.4213 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -1.4959 | |
| 190 | F | A | 0.0000 | |
| 191 | S | A | -1.3583 | |
| 192 | T | A | 0.0000 | |
| 193 | T | A | -1.1941 | |
| 194 | I | A | 0.0000 | |
| 195 | G | A | -1.0168 | |
| 196 | T | A | -0.6238 | |
| 197 | S | A | -0.8491 | |
| 198 | E | A | -1.1673 | |
| 199 | T | A | -0.6706 | |
| 200 | T | A | -0.5168 | |
| 201 | T | A | -0.4283 | |
| 202 | E | A | -0.6886 | |
| 203 | T | A | -0.4391 | |
| 204 | I | A | 0.0000 | |
| 205 | T | A | -0.1892 | |
| 206 | V | A | 0.0000 | |
| 207 | S | A | -0.2211 | |
| 208 | K | A | -0.3826 | |
| 209 | S | A | -0.3761 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | -0.1954 | |
| 212 | V | A | 0.0000 | |
| 213 | T | A | -0.0424 | |
| 214 | V | A | 0.0000 | |
| 215 | P | A | -1.5935 | |
| 216 | A | A | -1.9456 | |
| 217 | Q | A | -2.1921 | |
| 218 | S | A | 0.0000 | |
| 219 | R | A | -2.0031 | |
| 220 | R | A | -1.5623 | |
| 221 | T | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | Q | A | -0.8964 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.3018 | |
| 228 | I | A | -1.0507 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -2.1892 | |
| 231 | E | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | D | A | -1.2985 | |
| 235 | F | A | 0.0000 | |
| 236 | S | A | -0.9379 | |
| 237 | A | A | 0.0000 | |
| 238 | P | A | -0.6548 | |
| 239 | I | A | 0.0000 | |
| 240 | T | A | -0.5689 | |
| 241 | V | A | 0.0000 | |
| 242 | D | A | -0.7057 | |
| 243 | G | A | -0.0528 | |
| 244 | Y | A | 0.2147 | |
| 245 | F | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | P | A | -1.6751 | |
| 251 | K | A | -2.7115 | |
| 252 | R | A | -2.7012 | |
| 253 | V | A | 0.0000 | |
| 254 | G | A | -0.7390 | |
| 255 | P | A | -0.9271 | |
| 256 | G | A | -1.1150 | |
| 257 | G | A | -1.4952 | |
| 258 | H | A | -1.2750 | |
| 259 | Y | A | -0.4337 | |
| 260 | Y | A | 0.4743 | |
| 261 | W | A | 0.7134 | |
| 262 | Y | A | 0.6169 | |
| 263 | N | A | -0.2239 | |
| 264 | P | A | -0.7261 | |
| 265 | A | A | 0.0000 | |
| 266 | R | A | -2.4721 | |
| 267 | D | A | -1.8093 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | N | A | -1.9700 | |
| 271 | T | A | -1.2549 | |
| 272 | T | A | -1.0923 | |
| 273 | S | A | -0.7319 | |
| 274 | G | A | -0.3509 | |
| 275 | T | A | -0.5961 | |
| 276 | L | A | 0.0000 | |
| 277 | R | A | -1.4903 | |
| 278 | G | A | 0.0000 | |
| 279 | T | A | -0.7030 | |
| 280 | V | A | 0.0000 | |
| 281 | T | A | -0.5477 | |
| 282 | N | A | 0.0000 | |
| 283 | V | A | -0.5067 | |
| 284 | S | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | F | A | -0.0913 | |
| 287 | D | A | -0.8535 | |
| 288 | F | A | -0.2880 | |
| 289 | Q | A | -0.6427 | |
| 290 | T | A | -0.4740 | |
| 291 | I | A | -0.2243 | |
| 292 | V | A | -0.4600 | |
| 293 | Q | A | -1.0391 | |
| 294 | P | A | -1.1966 | |
| 295 | A | A | -1.6117 | |
| 296 | R | A | -2.3240 | |
| 297 | S | A | -0.9908 | |
| 298 | L | A | 0.1909 | |
| 51 | M | B | 0.5369 | |
| 52 | D | B | -0.9154 | |
| 53 | V | B | -0.3242 | |
| 54 | I | B | 0.0000 | |
| 55 | R | B | -1.5554 | |
| 56 | E | B | -0.6031 | |
| 57 | Y | B | 0.2720 | |
| 58 | L | B | 0.0000 | |
| 59 | M | B | -0.4185 | |
| 60 | F | B | 0.0000 | |
| 61 | N | B | -1.4295 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | S | B | -0.7979 | |
| 65 | A | B | 0.0000 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -0.7400 | |
| 68 | S | B | 0.0000 | |
| 69 | S | B | -1.2536 | |
| 70 | P | B | -1.1049 | |
| 71 | E | B | -2.1048 | |
| 72 | S | B | -1.6920 | |
| 73 | V | B | 0.0000 | |
| 74 | R | B | -1.7672 | |
| 75 | S | B | -1.7197 | |
| 76 | R | B | -1.8018 | |
| 77 | F | B | 0.0000 | |
| 78 | S | B | -1.1208 | |
| 79 | S | B | -0.5982 | |
| 80 | I | B | 0.0932 | |
| 81 | Y | B | -0.3314 | |
| 82 | G | B | -0.6668 | |
| 83 | T | B | -1.3314 | |
| 84 | N | B | -1.7353 | |
| 85 | P | B | 0.0000 | |
| 86 | D | B | -1.2641 | |
| 87 | G | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | L | B | 0.0000 | |
| 91 | N | B | 0.0000 | |
| 92 | N | B | -1.6592 | |
| 93 | E | B | -1.3505 | |
| 94 | T | B | -0.5960 | |
| 95 | Y | B | 0.1629 | |
| 96 | F | B | -0.0235 | |
| 97 | N | B | -1.0723 | |
| 98 | A | B | -0.6030 | |
| 99 | V | B | -0.3920 | |
| 100 | K | B | -1.9927 | |
| 101 | P | B | -1.5752 | |
| 102 | P | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | 0.0000 | |
| 105 | A | B | -0.6218 | |
| 106 | Q | B | -0.6440 | |
| 107 | Y | B | 0.9896 | |
| 108 | G | B | 0.3860 | |
| 109 | Y | B | 0.8240 | |
| 110 | Y | B | 0.7673 | |
| 111 | C | B | 0.0000 | |
| 112 | Y | B | -0.0017 | |
| 113 | K | B | 0.0000 | |
| 114 | N | B | 0.0000 | |
| 115 | V | B | 0.0000 | |
| 116 | G | B | -0.4561 | |
| 117 | T | B | -0.1373 | |
| 118 | V | B | -0.7302 | |
| 119 | Q | B | -0.8137 | |
| 120 | Y | B | -0.1463 | |
| 121 | V | B | 0.4626 | |
| 122 | N | B | -1.4151 | |
| 123 | R | B | -2.5639 | |
| 124 | P | B | -1.8431 | |
| 125 | T | B | -2.2043 | |
| 126 | D | B | -2.5080 | |
| 127 | I | B | -1.4251 | |
| 128 | N | B | -2.0526 | |
| 129 | P | B | -1.5952 | |
| 130 | N | B | -1.3148 | |
| 131 | V | B | 0.0604 | |
| 132 | I | B | 1.0665 | |
| 133 | L | B | 0.5184 | |
| 134 | A | B | -0.4720 | |
| 135 | Q | B | -1.6106 | |
| 136 | D | B | -2.2241 | |
| 137 | T | B | -1.3621 | |
| 138 | L | B | -0.6037 | |
| 139 | T | B | -1.1023 | |
| 140 | N | B | 0.0000 | |
| 141 | N | B | -2.0882 | |
| 142 | T | B | -2.0425 | |
| 143 | N | B | -2.6720 | |
| 144 | E | B | -2.7236 | |
| 145 | P | B | -1.3656 | |
| 146 | F | B | -0.0111 | |
| 147 | T | B | 0.1958 | |
| 148 | T | B | 0.1665 | |
| 149 | T | B | -0.0269 | |
| 150 | I | B | 0.0710 | |
| 151 | T | B | -0.2586 | |
| 152 | I | B | 0.0000 | |
| 153 | T | B | -0.4974 | |
| 154 | G | B | 0.0000 | |
| 155 | S | B | -0.0989 | |
| 156 | F | B | 0.1039 | |
| 157 | T | B | -0.1903 | |
| 158 | N | B | -0.2477 | |
| 159 | T | B | -0.3238 | |
| 160 | S | B | 0.0000 | |
| 161 | T | B | -0.3881 | |
| 162 | V | B | 0.0000 | |
| 163 | T | B | -0.7857 | |
| 164 | S | B | 0.0000 | |
| 165 | S | B | -1.2049 | |
| 166 | T | B | -1.0970 | |
| 167 | T | B | -0.6302 | |
| 168 | T | B | -0.5795 | |
| 169 | G | B | -0.9802 | |
| 170 | F | B | 0.0000 | |
| 171 | K | B | -1.6894 | |
| 172 | F | B | 0.0000 | |
| 173 | T | B | -0.9196 | |
| 174 | S | B | -1.3307 | |
| 175 | K | B | -1.7693 | |
| 176 | L | B | 0.0000 | |
| 177 | S | B | -1.0189 | |
| 178 | I | B | 0.0000 | |
| 179 | K | B | -1.8566 | |
| 180 | K | B | -1.0313 | |
| 181 | V | B | 0.0706 | |
| 182 | F | B | 0.0000 | |
| 183 | E | B | -1.5945 | |
| 184 | I | B | -0.7420 | |
| 185 | G | B | -0.8277 | |
| 186 | G | B | -0.8999 | |
| 187 | E | B | -1.6622 | |
| 188 | V | B | 0.0000 | |
| 189 | S | B | -1.2095 | |
| 190 | F | B | 0.0000 | |
| 191 | S | B | -1.1838 | |
| 192 | T | B | 0.0000 | |
| 193 | T | B | -1.1006 | |
| 194 | I | B | -1.0994 | |
| 195 | G | B | -1.0004 | |
| 196 | T | B | -0.5539 | |
| 197 | S | B | -0.7830 | |
| 198 | E | B | -1.0501 | |
| 199 | T | B | -0.5850 | |
| 200 | T | B | -0.4406 | |
| 201 | T | B | -0.3508 | |
| 202 | E | B | -0.5633 | |
| 203 | T | B | -0.3513 | |
| 204 | I | B | 0.0000 | |
| 205 | T | B | -0.1457 | |
| 206 | V | B | 0.0000 | |
| 207 | S | B | -0.2302 | |
| 208 | K | B | -0.3596 | |
| 209 | S | B | -0.2936 | |
| 210 | V | B | 0.0000 | |
| 211 | T | B | -0.0724 | |
| 212 | V | B | 0.0000 | |
| 213 | T | B | 0.0881 | |
| 214 | V | B | 0.0000 | |
| 215 | P | B | -1.5538 | |
| 216 | A | B | -2.0213 | |
| 217 | Q | B | -2.2781 | |
| 218 | S | B | 0.0000 | |
| 219 | R | B | -1.7695 | |
| 220 | R | B | -1.4888 | |
| 221 | T | B | -1.2845 | |
| 222 | I | B | 0.0000 | |
| 223 | Q | B | -0.3971 | |
| 224 | L | B | 0.0000 | |
| 225 | T | B | 0.0000 | |
| 226 | A | B | 0.0000 | |
| 227 | K | B | -0.9080 | |
| 228 | I | B | -0.9783 | |
| 229 | A | B | 0.0000 | |
| 230 | K | B | -2.1294 | |
| 231 | E | B | 0.0000 | |
| 232 | S | B | -1.3638 | |
| 233 | A | B | 0.0000 | |
| 234 | D | B | -0.9367 | |
| 235 | F | B | 0.0000 | |
| 236 | S | B | -0.9643 | |
| 237 | A | B | 0.0000 | |
| 238 | P | B | -0.7471 | |
| 239 | I | B | 0.0000 | |
| 240 | T | B | -0.7290 | |
| 241 | V | B | 0.0000 | |
| 242 | D | B | -1.3965 | |
| 243 | G | B | -0.3772 | |
| 244 | Y | B | 0.1416 | |
| 245 | F | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | N | B | 0.0000 | |
| 249 | F | B | 0.0000 | |
| 250 | P | B | -1.5894 | |
| 251 | K | B | -2.4655 | |
| 252 | R | B | -2.5484 | |
| 253 | V | B | 0.0000 | |
| 254 | G | B | -0.7386 | |
| 255 | P | B | -0.9762 | |
| 256 | G | B | -1.0255 | |
| 257 | G | B | -1.4620 | |
| 258 | H | B | -1.1468 | |
| 259 | Y | B | -0.0453 | |
| 260 | F | B | 0.7601 | |
| 261 | W | B | 0.6000 | |
| 262 | F | B | 0.8702 | |
| 263 | N | B | 0.0000 | |
| 264 | P | B | -0.7386 | |
| 265 | A | B | 0.0000 | |
| 266 | R | B | -2.5638 | |
| 267 | D | B | -1.5750 | |
| 268 | V | B | 0.0000 | |
| 269 | L | B | 0.0000 | |
| 270 | N | B | -1.9454 | |
| 271 | T | B | -1.2707 | |
| 272 | T | B | -1.2456 | |
| 273 | S | B | -0.8020 | |
| 274 | G | B | -0.3199 | |
| 275 | T | B | -0.7296 | |
| 276 | L | B | 0.0000 | |
| 277 | R | B | -2.1864 | |
| 278 | G | B | -1.1278 | |
| 279 | T | B | -0.7104 | |
| 280 | V | B | 0.0000 | |
| 281 | T | B | -0.5980 | |
| 282 | N | B | 0.0000 | |
| 283 | V | B | -0.4435 | |
| 284 | S | B | -0.1424 | |
| 285 | S | B | 0.0000 | |
| 286 | F | B | -0.0640 | |
| 287 | D | B | -0.7897 | |
| 288 | F | B | 0.0015 | |
| 289 | Q | B | -0.4153 | |
| 290 | T | B | -0.0318 | |
| 291 | I | B | 0.3946 | |
| 292 | V | B | -0.0366 | |
| 293 | Q | B | -0.4859 | |
| 294 | P | B | -0.8677 | |
| 295 | A | B | -1.4516 | |
| 296 | R | B | -2.2354 | |
| 297 | S | B | -1.1200 | |
| 298 | L | B | 0.2002 |
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