| Chain sequence(s) |
A: DIVLNQSPALMSASPGEKVTMTCSASSSVSYMYWYQQKPRSSPKPWIYLTSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCQQWISNPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
B: EVQLQQSGPDLVKPGASVKISCKASGYSFTGYYMHWVKQSHGKSLEWIGRVNPNNGGTDYNQKFKGKAILTVDKSSTSAYMELRSLTPEDSEVYYCARGDFALVYWGQGTLVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WI46A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.69978 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 (00:02:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:16)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:15)
[INFO] Main: Simulation completed successfully. (00:04:18)
|
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 | -1.5733 | |
| 2 | I | A | 0.0410 | |
| 3 | V | A | 0.9627 | |
| 4 | L | A | 0.0000 | |
| 5 | N | A | -1.0544 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.3509 | |
| 8 | P | A | 0.0821 | |
| 9 | A | A | 0.3438 | |
| 10 | L | A | 1.3465 | |
| 11 | M | A | 0.5923 | |
| 12 | S | A | -0.2391 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -1.6883 | |
| 15 | P | A | -1.8990 | |
| 16 | G | A | -2.0240 | |
| 17 | E | A | -2.7916 | |
| 18 | K | A | -2.7692 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6190 | |
| 21 | M | A | 0.0000 | |
| 22 | T | A | -0.4538 | |
| 23 | C | A | 0.0000 | |
| 24 | S | A | -0.5785 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.1696 | |
| 27 | S | A | -0.1153 | |
| 28 | S | A | -0.1222 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | 0.4098 | |
| 31 | Y | A | 1.1954 | |
| 32 | M | A | 0.0000 | |
| 33 | Y | A | 0.0000 | |
| 34 | W | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | Q | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | K | A | -1.7134 | |
| 39 | P | A | -1.8233 | |
| 40 | R | A | -2.4717 | |
| 41 | S | A | -1.6540 | |
| 42 | S | A | -1.1666 | |
| 43 | P | A | 0.0000 | |
| 44 | K | A | -0.9036 | |
| 45 | P | A | -0.0902 | |
| 46 | I | A | 0.0000 | mutated: WI46A |
| 47 | I | A | 0.0000 | |
| 48 | Y | A | 1.1532 | |
| 49 | L | A | 1.1642 | |
| 50 | T | A | 0.0000 | |
| 51 | S | A | -0.1325 | |
| 52 | N | A | -0.2347 | |
| 53 | L | A | 0.1735 | |
| 54 | A | A | 0.0432 | |
| 55 | S | A | -0.2685 | |
| 56 | G | A | -0.4163 | |
| 57 | V | A | -0.2511 | |
| 58 | P | A | -0.1617 | |
| 59 | A | A | -0.1409 | |
| 60 | R | A | -0.7482 | |
| 61 | F | A | 0.0000 | |
| 62 | S | A | -0.3890 | |
| 63 | G | A | 0.0000 | |
| 64 | S | A | -0.4730 | |
| 65 | G | A | -0.5886 | |
| 66 | S | A | -0.4585 | |
| 67 | G | A | -0.4340 | |
| 68 | T | A | -0.4392 | |
| 69 | S | A | -0.6561 | |
| 70 | Y | A | 0.0000 | |
| 71 | S | A | -0.3751 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -0.5906 | |
| 74 | I | A | 0.0000 | |
| 75 | S | A | -1.5549 | |
| 76 | S | A | -1.9318 | |
| 77 | M | A | 0.0000 | |
| 78 | E | A | -2.5644 | |
| 79 | A | A | -2.2546 | |
| 80 | E | A | -2.5695 | |
| 81 | D | A | 0.0000 | |
| 82 | A | A | -1.2015 | |
| 83 | A | A | 0.0000 | |
| 84 | T | A | -0.5197 | |
| 85 | Y | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | Q | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | I | A | 1.4555 | |
| 92 | S | A | -0.2097 | |
| 93 | N | A | -1.4612 | |
| 94 | P | A | 0.0000 | |
| 95 | Y | A | 0.0652 | |
| 96 | T | A | -0.0304 | |
| 97 | F | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | -1.0905 | |
| 100 | G | A | -0.7842 | |
| 101 | T | A | 0.0000 | |
| 102 | K | A | -0.3289 | |
| 103 | L | A | 0.0000 | |
| 104 | E | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | K | A | -1.8107 | |
| 107 | R | A | -1.6976 | |
| 108 | A | A | -1.3627 | |
| 109 | D | A | -2.4434 | |
| 110 | A | A | -1.3724 | |
| 111 | A | A | -0.6725 | |
| 112 | P | A | 0.0000 | |
| 113 | T | A | -0.1064 | |
| 114 | V | A | 0.0000 | |
| 115 | S | A | 0.0013 | |
| 116 | I | A | 0.0481 | |
| 117 | F | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | -0.7958 | |
| 122 | E | A | -0.9056 | |
| 123 | Q | A | 0.0000 | |
| 124 | L | A | -0.8331 | |
| 125 | T | A | -0.5651 | |
| 126 | S | A | -0.6536 | |
| 127 | G | A | -1.0426 | |
| 128 | G | A | -0.9162 | |
| 129 | A | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | N | A | -0.7335 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | P | A | -2.1431 | |
| 141 | K | A | -2.5412 | |
| 142 | D | A | -2.7827 | |
| 143 | I | A | -1.8062 | |
| 144 | N | A | -1.9868 | |
| 145 | V | A | -0.7711 | |
| 146 | K | A | -1.8047 | |
| 147 | W | A | 0.0000 | |
| 148 | K | A | -2.3135 | |
| 149 | I | A | 0.0000 | |
| 150 | D | A | -2.6266 | |
| 151 | G | A | -1.9523 | |
| 152 | S | A | -2.1165 | |
| 153 | E | A | -3.1788 | |
| 154 | R | A | -2.6485 | |
| 155 | Q | A | -2.5200 | |
| 156 | N | A | -2.0560 | |
| 157 | G | A | -0.8645 | |
| 158 | V | A | -0.4746 | |
| 159 | L | A | -0.0280 | |
| 160 | N | A | 0.0619 | |
| 161 | S | A | 0.3029 | |
| 162 | W | A | 0.3602 | |
| 163 | T | A | -0.4629 | |
| 164 | D | A | -1.5541 | |
| 165 | Q | A | 0.0000 | |
| 166 | D | A | -1.7152 | |
| 167 | S | A | -2.0872 | |
| 168 | K | A | -2.4892 | |
| 169 | D | A | -1.6413 | |
| 170 | S | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | T | A | -0.2351 | |
| 180 | L | A | 0.0000 | |
| 181 | T | A | -1.3475 | |
| 182 | K | A | -2.3073 | |
| 183 | D | A | -3.1986 | |
| 184 | E | A | -2.4991 | |
| 185 | Y | A | 0.0000 | |
| 186 | E | A | -3.4645 | |
| 187 | R | A | -3.5262 | |
| 188 | H | A | -2.7260 | |
| 189 | N | A | -2.5437 | |
| 190 | S | A | -1.7595 | |
| 191 | Y | A | 0.0000 | |
| 192 | T | A | -1.0325 | |
| 193 | C | A | 0.0000 | |
| 194 | E | A | -0.4963 | |
| 195 | A | A | 0.0000 | |
| 196 | T | A | -1.0652 | |
| 197 | H | A | 0.0000 | |
| 198 | K | A | -2.5763 | |
| 199 | T | A | -1.2967 | |
| 200 | S | A | -0.7257 | |
| 201 | T | A | -0.5927 | |
| 202 | S | A | -0.3675 | |
| 203 | P | A | -0.3961 | |
| 204 | I | A | 0.4941 | |
| 205 | V | A | 0.5448 | |
| 206 | K | A | -0.2032 | |
| 207 | S | A | -0.4072 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | -1.9761 | |
| 210 | R | A | -2.4116 | |
| 211 | N | A | -2.6209 | |
| 212 | E | A | -2.6879 | |
| 213 | C | A | -1.4132 | |
| 1 | E | B | -2.1351 | |
| 2 | V | B | -1.2048 | |
| 3 | Q | B | -2.1015 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -2.1355 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -1.0759 | |
| 8 | G | B | -1.0021 | |
| 9 | P | B | -0.6267 | |
| 10 | D | B | -1.0180 | |
| 11 | L | B | -0.6435 | |
| 12 | V | B | -0.8785 | |
| 13 | K | B | -2.0342 | |
| 14 | P | B | -1.5846 | |
| 15 | G | B | -1.3305 | |
| 16 | A | B | -1.1548 | |
| 17 | S | B | -1.4174 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -1.5974 | |
| 20 | I | B | 0.0000 | |
| 21 | S | B | -0.7592 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -1.4796 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.2848 | |
| 26 | G | B | -1.3092 | |
| 27 | Y | B | -0.5719 | |
| 28 | S | B | -0.2390 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -1.1281 | |
| 31 | G | B | -0.6914 | |
| 32 | Y | B | -0.1319 | |
| 33 | Y | B | -0.2719 | |
| 34 | M | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | K | B | -0.6265 | |
| 39 | Q | B | 0.0000 | |
| 40 | S | B | -1.6228 | |
| 41 | H | B | -1.8817 | |
| 42 | G | B | -2.1016 | |
| 43 | K | B | -2.5509 | |
| 44 | S | B | -1.6339 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9209 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | R | B | -0.6033 | |
| 51 | V | B | 0.0000 | |
| 52 | N | B | -1.1931 | |
| 53 | P | B | 0.0000 | |
| 54 | N | B | -2.3889 | |
| 55 | N | B | -2.3374 | |
| 56 | G | B | -1.6724 | |
| 57 | G | B | -1.2303 | |
| 58 | T | B | -0.6990 | |
| 59 | D | B | -1.3342 | |
| 60 | Y | B | -1.4644 | |
| 61 | N | B | 0.0000 | |
| 62 | Q | B | -3.1012 | |
| 63 | K | B | -2.9029 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -2.8176 | |
| 66 | G | B | -1.9850 | |
| 67 | K | B | -1.8755 | |
| 68 | A | B | 0.0000 | |
| 69 | I | B | -0.1951 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.3144 | |
| 72 | V | B | -1.0270 | |
| 73 | D | B | -1.6534 | |
| 74 | K | B | -2.4312 | |
| 75 | S | B | -1.2318 | |
| 76 | S | B | -1.0300 | |
| 77 | T | B | -1.1427 | |
| 78 | S | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.2188 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.0804 | |
| 83 | L | B | 0.0000 | |
| 84 | R | B | -1.9276 | |
| 85 | S | B | -1.4352 | |
| 86 | L | B | 0.0000 | |
| 87 | T | B | -1.4226 | |
| 88 | P | B | -1.5296 | |
| 89 | E | B | -2.0456 | |
| 90 | D | B | 0.0000 | |
| 91 | S | B | -0.8740 | |
| 92 | E | B | -0.6612 | |
| 93 | V | B | -0.1794 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | D | B | -0.8787 | |
| 101 | F | B | 1.0105 | |
| 102 | A | B | 0.6878 | |
| 103 | L | B | 0.0000 | |
| 104 | V | B | 0.8146 | |
| 105 | Y | B | 0.3679 | |
| 106 | W | B | -0.3450 | |
| 107 | G | B | 0.0000 | |
| 108 | Q | B | -1.7656 | |
| 109 | G | B | -0.9083 | |
| 110 | T | B | 0.0000 | |
| 111 | L | B | 0.0806 | |
| 112 | V | B | 0.0000 | |
| 113 | T | B | -0.6497 | |
| 114 | V | B | 0.0000 | |
| 115 | S | B | -1.4559 | |
| 116 | S | B | -1.4102 | |
| 117 | A | B | -1.5153 | |
| 118 | K | B | -2.1210 | |
| 119 | T | B | -1.0557 | |
| 120 | T | B | -0.6814 | |
| 121 | P | B | -0.6329 | |
| 122 | P | B | 0.0000 | |
| 123 | S | B | -0.2609 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | -0.3517 | |
| 126 | P | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | A | B | 0.0000 | |
| 129 | P | B | -0.0875 | |
| 130 | G | B | -0.8526 | |
| 131 | S | B | -0.9078 | |
| 132 | A | B | -0.7330 | |
| 133 | A | B | -0.7430 | |
| 134 | Q | B | -1.5766 | |
| 135 | T | B | -1.2259 | |
| 136 | N | B | -1.5993 | |
| 137 | S | B | -0.8503 | |
| 138 | M | B | -0.2389 | |
| 139 | V | B | -0.2246 | |
| 140 | T | B | 0.0507 | |
| 141 | L | B | 0.0000 | |
| 142 | G | B | 0.0000 | |
| 143 | C | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | K | B | -0.1144 | |
| 147 | G | B | -0.2269 | |
| 148 | Y | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | P | B | 0.0000 | |
| 151 | E | B | -0.2208 | |
| 152 | P | B | -0.2980 | |
| 153 | V | B | -0.1868 | |
| 154 | T | B | -0.2013 | |
| 155 | V | B | -0.2346 | |
| 156 | T | B | -0.3854 | |
| 157 | W | B | 0.0000 | |
| 158 | N | B | -0.9839 | |
| 159 | S | B | -0.7812 | |
| 160 | G | B | -0.5656 | |
| 161 | S | B | -0.4490 | |
| 162 | L | B | -0.1530 | |
| 163 | S | B | -0.3401 | |
| 164 | S | B | -0.4962 | |
| 165 | G | B | -0.2702 | |
| 166 | V | B | 0.1362 | |
| 167 | H | B | -0.0626 | |
| 168 | T | B | 0.1215 | |
| 169 | F | B | 0.0000 | |
| 170 | P | B | 0.0577 | |
| 171 | A | B | 0.3762 | |
| 172 | V | B | 0.5362 | |
| 173 | L | B | 0.5237 | |
| 174 | Q | B | -0.9246 | |
| 175 | S | B | -1.1824 | |
| 176 | D | B | -1.8715 | |
| 177 | L | B | -0.5280 | |
| 178 | Y | B | 0.1946 | |
| 179 | T | B | 0.2785 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | S | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | T | B | 0.0912 | |
| 186 | V | B | 0.0000 | |
| 187 | P | B | -0.2549 | |
| 188 | S | B | -0.7219 | |
| 189 | S | B | -0.5727 | |
| 190 | T | B | -0.8183 | |
| 191 | W | B | -0.6085 | |
| 192 | P | B | -0.6439 | |
| 193 | S | B | -1.2492 | |
| 194 | E | B | -2.0323 | |
| 195 | T | B | -1.0891 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.2700 | |
| 198 | C | B | 0.0000 | |
| 199 | N | B | -1.4450 | |
| 200 | V | B | 0.0000 | |
| 201 | A | B | -0.9017 | |
| 202 | H | B | 0.0000 | |
| 203 | P | B | -0.8621 | |
| 204 | A | B | -0.4615 | |
| 205 | S | B | -0.5034 | |
| 206 | S | B | -0.7459 | |
| 207 | T | B | -0.9207 | |
| 208 | K | B | -1.9691 | |
| 209 | V | B | -1.4692 | |
| 210 | D | B | -2.5072 | |
| 211 | K | B | -1.5483 | |
| 212 | K | B | -1.5290 | |
| 213 | I | B | 0.0000 | |
| 214 | V | B | 0.7613 | |
| 215 | P | B | -0.1218 | |
| 216 | R | B | -0.6920 | |
| 217 | D | B | -1.5735 | |
| 218 | C | B | -0.6764 |
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