| Chain sequence(s) |
A: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
B: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GA116B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.82175 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] (00:00:01)
[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] FoldX: Building mutant model (00:04:46)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:56)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:14)
[INFO] Main: Simulation completed successfully. (00:09:18)
|
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 | A | A | -1.1781 | |
| 2 | S | A | -1.6198 | |
| 3 | K | A | -2.1404 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -1.6324 | |
| 6 | E | A | -2.0379 | |
| 7 | L | A | -0.7421 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.3484 | |
| 10 | G | A | 0.2532 | |
| 11 | V | A | 1.0325 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.0696 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.1016 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.8657 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2511 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.5359 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.9841 | |
| 24 | G | A | -1.6964 | |
| 25 | H | A | -2.3947 | |
| 26 | K | A | -2.9831 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.6766 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.9944 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.3601 | |
| 33 | G | A | -1.7199 | |
| 34 | E | A | -1.7952 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -0.3870 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.1905 | |
| 39 | Y | A | -0.4217 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.6995 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -1.0842 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.4553 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -0.7885 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.4826 | |
| 50 | T | A | -0.9165 | |
| 51 | G | A | -1.2147 | |
| 52 | K | A | -1.9898 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.1909 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -1.0176 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.6948 | |
| 76 | D | A | -2.7689 | |
| 77 | H | A | -2.2266 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.5154 | |
| 80 | R | A | -2.7470 | |
| 81 | H | A | -1.5929 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.9363 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -0.9513 | |
| 90 | E | A | -1.4929 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.7009 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -1.6430 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.2839 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | 0.3294 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.2007 | |
| 102 | D | A | -3.0102 | |
| 103 | D | A | -2.6748 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -0.6880 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -1.4626 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -3.1079 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -2.0556 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.1841 | |
| 114 | F | A | -1.2495 | |
| 115 | E | A | -1.5181 | |
| 116 | G | A | -1.6893 | |
| 117 | D | A | -2.1291 | |
| 118 | T | A | -1.5875 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.4499 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.8555 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.6267 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.0867 | |
| 129 | D | A | -2.4589 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9442 | |
| 132 | E | A | -3.9475 | |
| 133 | D | A | -3.6093 | |
| 134 | G | A | -2.9084 | |
| 135 | N | A | -2.3648 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.9740 | |
| 138 | G | A | -2.3235 | |
| 139 | H | A | -2.1273 | |
| 140 | K | A | -2.4093 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -1.2768 | |
| 143 | Y | A | -0.3312 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -0.6445 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.1912 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -0.9247 | |
| 154 | A | A | -1.9070 | |
| 155 | D | A | -2.7282 | |
| 156 | K | A | -3.2680 | |
| 157 | Q | A | -3.0218 | |
| 158 | K | A | -2.9596 | |
| 159 | N | A | -2.3806 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.4864 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -0.4438 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.4913 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.8309 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -0.8801 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.1659 | |
| 173 | D | A | -2.9682 | |
| 174 | G | A | -1.8546 | |
| 175 | S | A | -0.7975 | |
| 176 | V | A | 0.0160 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.7160 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.6594 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.1095 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.3282 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.6663 | |
| 187 | P | A | -0.5619 | |
| 188 | I | A | -0.0636 | |
| 189 | G | A | -1.0511 | |
| 190 | D | A | -1.9556 | |
| 191 | G | A | -1.2302 | |
| 192 | P | A | -0.6741 | |
| 193 | V | A | -0.3074 | |
| 194 | L | A | -0.2555 | |
| 195 | L | A | -0.8293 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.1271 | |
| 198 | N | A | -1.1819 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | 0.1280 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.2068 | |
| 203 | T | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -0.5382 | |
| 209 | K | A | -1.5109 | |
| 210 | D | A | -1.6593 | |
| 211 | P | A | -1.5546 | |
| 212 | N | A | -2.2468 | |
| 213 | E | A | -2.4599 | |
| 214 | K | A | -2.7835 | |
| 215 | R | A | -2.2805 | |
| 216 | D | A | -1.6562 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | -0.0640 | |
| 222 | E | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.3235 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.1594 | |
| 228 | G | A | -0.4416 | |
| 229 | I | A | -0.4183 | |
| 230 | T | A | -0.1530 | |
| 1 | A | B | -1.1492 | |
| 2 | S | B | -1.5910 | |
| 3 | K | B | -2.1314 | |
| 4 | G | B | 0.0000 | |
| 5 | E | B | -1.5152 | |
| 6 | E | B | -1.8669 | |
| 7 | L | B | -0.6305 | |
| 8 | F | B | 0.0000 | |
| 9 | T | B | -0.3259 | |
| 10 | G | B | 0.1935 | |
| 11 | V | B | 0.9360 | |
| 12 | V | B | 0.0000 | |
| 13 | P | B | -1.0952 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | -1.0935 | |
| 16 | V | B | 0.0000 | |
| 17 | E | B | -1.9334 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -3.1813 | |
| 20 | G | B | 0.0000 | |
| 21 | D | B | -2.2593 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.8505 | |
| 24 | G | B | -1.4929 | |
| 25 | H | B | -1.9154 | |
| 26 | K | B | -2.7352 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -1.6392 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.0468 | |
| 31 | G | B | 0.0000 | |
| 32 | E | B | -2.3873 | |
| 33 | G | B | -1.7601 | |
| 34 | E | B | -1.8485 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -0.6045 | |
| 37 | A | B | 0.0000 | |
| 38 | T | B | -0.2677 | |
| 39 | Y | B | -0.4926 | |
| 40 | G | B | 0.0000 | |
| 41 | K | B | -0.7839 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -1.1777 | |
| 44 | L | B | 0.0000 | |
| 45 | K | B | -1.5134 | |
| 46 | F | B | 0.0000 | |
| 47 | I | B | -0.8531 | |
| 48 | C | B | 0.0000 | |
| 49 | T | B | -0.4877 | |
| 50 | T | B | -0.8956 | |
| 51 | G | B | -1.1799 | |
| 52 | K | B | -1.9241 | |
| 53 | L | B | -1.0628 | |
| 54 | P | B | -1.0998 | |
| 55 | V | B | 0.0000 | |
| 56 | P | B | 0.0000 | |
| 57 | W | B | 0.0000 | |
| 58 | P | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | T | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 66 | Y | B | 0.0000 | |
| 67 | G | B | 0.0000 | |
| 68 | V | B | 0.0000 | |
| 69 | Q | B | 0.0000 | |
| 70 | C | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | 0.0000 | |
| 73 | R | B | -1.0195 | |
| 74 | Y | B | 0.0000 | |
| 75 | P | B | -1.7132 | |
| 76 | D | B | -2.8224 | |
| 77 | H | B | -2.3860 | |
| 78 | M | B | 0.0000 | |
| 79 | K | B | -2.4820 | |
| 80 | R | B | -2.7577 | |
| 81 | H | B | -1.6650 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | K | B | 0.0000 | |
| 86 | S | B | -0.9362 | |
| 87 | A | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | P | B | -1.1135 | |
| 90 | E | B | -1.6409 | |
| 91 | G | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | -0.6975 | |
| 94 | Q | B | 0.0000 | |
| 95 | E | B | -2.4101 | |
| 96 | R | B | 0.0000 | |
| 97 | T | B | -0.4119 | |
| 98 | I | B | 0.0000 | |
| 99 | F | B | 0.3159 | |
| 100 | F | B | 0.0000 | |
| 101 | K | B | -2.1634 | |
| 102 | D | B | -2.9917 | |
| 103 | D | B | -2.6780 | |
| 104 | G | B | 0.0000 | |
| 105 | N | B | -0.6690 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -1.5282 | |
| 108 | T | B | 0.0000 | |
| 109 | R | B | -2.9454 | |
| 110 | A | B | 0.0000 | |
| 111 | E | B | -1.7354 | |
| 112 | V | B | 0.0000 | |
| 113 | K | B | -1.0617 | |
| 114 | F | B | -1.0421 | |
| 115 | E | B | -1.1661 | |
| 116 | A | B | -1.1060 | mutated: GA116B |
| 117 | D | B | -1.8368 | |
| 118 | T | B | -1.2103 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | N | B | 0.0000 | |
| 122 | R | B | -2.2831 | |
| 123 | I | B | 0.0000 | |
| 124 | E | B | -3.6313 | |
| 125 | L | B | 0.0000 | |
| 126 | K | B | -2.1081 | |
| 127 | G | B | 0.0000 | |
| 128 | I | B | -1.1489 | |
| 129 | D | B | -2.5032 | |
| 130 | F | B | 0.0000 | |
| 131 | K | B | -3.9752 | |
| 132 | E | B | -3.9677 | |
| 133 | D | B | -3.6137 | |
| 134 | G | B | -2.9014 | |
| 135 | N | B | -2.1363 | |
| 136 | I | B | 0.0000 | |
| 137 | L | B | -2.0105 | |
| 138 | G | B | -2.3223 | |
| 139 | H | B | -2.1099 | |
| 140 | K | B | -2.3685 | |
| 141 | L | B | 0.0000 | |
| 142 | E | B | -1.2607 | |
| 143 | Y | B | -0.3081 | |
| 144 | N | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | N | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | H | B | 0.0000 | |
| 149 | N | B | -0.6498 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | 0.1625 | |
| 152 | I | B | 0.0000 | |
| 153 | M | B | -0.8588 | |
| 154 | A | B | -1.7741 | |
| 155 | D | B | -2.3561 | |
| 156 | K | B | -3.2402 | |
| 157 | Q | B | -3.1309 | |
| 158 | K | B | -3.2767 | |
| 159 | N | B | -2.8339 | |
| 160 | G | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -1.2980 | |
| 163 | V | B | 0.0000 | |
| 164 | N | B | -0.5371 | |
| 165 | F | B | 0.0000 | |
| 166 | K | B | -1.4231 | |
| 167 | I | B | 0.0000 | |
| 168 | R | B | -0.8546 | |
| 169 | H | B | 0.0000 | |
| 170 | N | B | -0.9213 | |
| 171 | I | B | 0.0000 | |
| 172 | E | B | -3.1635 | |
| 173 | D | B | -2.9816 | |
| 174 | G | B | -1.8769 | |
| 175 | S | B | -0.8553 | |
| 176 | V | B | -0.0500 | |
| 177 | Q | B | 0.0000 | |
| 178 | L | B | -0.7408 | |
| 179 | A | B | 0.0000 | |
| 180 | D | B | -0.6495 | |
| 181 | H | B | 0.0000 | |
| 182 | Y | B | 0.0006 | |
| 183 | Q | B | 0.0000 | |
| 184 | Q | B | -1.5321 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | -0.8442 | |
| 187 | P | B | -0.6826 | |
| 188 | I | B | -0.0697 | |
| 189 | G | B | -1.1276 | |
| 190 | D | B | -2.0217 | |
| 191 | G | B | -1.3413 | |
| 192 | P | B | -0.7612 | |
| 193 | V | B | -0.3639 | |
| 194 | L | B | -0.3046 | |
| 195 | L | B | -0.8033 | |
| 196 | P | B | 0.0000 | |
| 197 | D | B | -2.2475 | |
| 198 | N | B | -1.4268 | |
| 199 | H | B | 0.0000 | |
| 200 | Y | B | 0.1857 | |
| 201 | L | B | 0.0000 | |
| 202 | S | B | -0.1748 | |
| 203 | T | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | L | B | 0.0000 | |
| 208 | S | B | -0.5662 | |
| 209 | K | B | -1.3616 | |
| 210 | D | B | -1.7348 | |
| 211 | P | B | -1.5832 | |
| 212 | N | B | -2.3253 | |
| 213 | E | B | -2.5730 | |
| 214 | K | B | -2.8075 | |
| 215 | R | B | -2.4433 | |
| 216 | D | B | -1.6757 | |
| 217 | H | B | 0.0000 | |
| 218 | M | B | 0.0000 | |
| 219 | V | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | E | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | V | B | 0.0000 | |
| 225 | T | B | -0.3794 | |
| 226 | A | B | 0.0000 | |
| 227 | A | B | -0.1241 | |
| 228 | G | B | -0.4026 | |
| 229 | I | B | -0.4817 | |
| 230 | T | B | -0.1866 |
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