| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVRVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARDPFLHYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT
B: GGKLSWYHWRSSFVDSTHGGGSSGGSLSGRSDNHTPAGLTGPGGSEIELTQSPGTLSLSPGERATLSCRASQTISNNYLAWYQQKRGQAPRLLIYAASSRATGIPDRFSGTGSGTDFTLTISRLEPEDFAVYYCAQGELYPRQFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WR6B,YH7B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.37277 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 minimization (00:00:01)
[INFO] FoldX: Building mutant model (00:01:46)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:09)
[INFO] Main: Simulation completed successfully. (00:02:12)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | -1.7640 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.4921 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.8512 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4203 | |
| 8 | G | A | -0.4829 | |
| 9 | A | A | -0.0179 | |
| 10 | E | A | -0.4347 | |
| 11 | V | A | 0.3050 | |
| 12 | K | A | -1.2137 | |
| 13 | K | A | -2.2891 | |
| 14 | P | A | -2.1675 | |
| 15 | G | A | -1.6465 | |
| 16 | S | A | -1.2975 | |
| 17 | S | A | -1.4661 | |
| 18 | V | A | 0.0000 | |
| 19 | R | A | -2.2751 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.4794 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.4560 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.0493 | |
| 26 | G | A | -1.5061 | |
| 27 | G | A | -1.2075 | |
| 28 | T | A | -0.5650 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | 0.4203 | |
| 31 | S | A | 0.5997 | |
| 32 | Y | A | 0.3192 | |
| 33 | A | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.3743 | |
| 39 | Q | A | -0.6161 | |
| 40 | A | A | -0.9724 | |
| 41 | P | A | -0.9777 | |
| 42 | G | A | -1.4040 | |
| 43 | Q | A | -1.7526 | |
| 44 | G | A | -1.0772 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.6524 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | I | A | 2.4626 | |
| 55 | F | A | 2.6398 | |
| 56 | G | A | 0.8088 | |
| 57 | T | A | 0.5044 | |
| 58 | A | A | -0.0399 | |
| 59 | N | A | -0.6756 | |
| 60 | Y | A | -1.0472 | |
| 61 | A | A | 0.0000 | |
| 62 | Q | A | -2.6877 | |
| 63 | K | A | -2.6924 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.4569 | |
| 66 | G | A | -1.6529 | |
| 67 | R | A | -1.4640 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.9213 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.4596 | |
| 72 | A | A | -0.3218 | |
| 73 | D | A | -1.2136 | |
| 74 | E | A | -1.4172 | |
| 75 | S | A | -1.0600 | |
| 76 | T | A | -0.9107 | |
| 77 | S | A | -1.1125 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6444 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.6556 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.2257 | |
| 85 | S | A | -1.2839 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.1038 | |
| 88 | S | A | -2.3865 | |
| 89 | E | A | -2.5711 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.8767 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3315 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | P | A | -0.0145 | |
| 101 | F | A | 0.1729 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -0.3928 | |
| 104 | Y | A | -0.5778 | |
| 105 | W | A | -0.4660 | |
| 106 | G | A | 0.0000 | |
| 107 | Q | A | -1.1355 | |
| 108 | G | A | -0.4398 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.4139 | |
| 111 | V | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | S | A | -1.2552 | |
| 115 | S | A | -0.9090 | |
| 116 | A | A | -0.5336 | |
| 117 | S | A | -0.5427 | |
| 118 | T | A | -0.5006 | |
| 119 | K | A | -1.1152 | |
| 120 | G | A | -1.3335 | |
| 121 | P | A | 0.0000 | |
| 122 | S | A | -0.3444 | |
| 123 | V | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | P | A | -1.0544 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | -1.2029 | |
| 128 | P | A | 0.0000 | |
| 129 | S | A | -1.1683 | |
| 130 | S | A | -1.0299 | |
| 131 | K | A | -1.5211 | |
| 132 | S | A | 0.0000 | |
| 133 | T | A | -0.9096 | |
| 134 | S | A | -0.8485 | |
| 135 | G | A | -0.8229 | |
| 136 | G | A | -0.8839 | |
| 137 | T | A | -0.6197 | |
| 138 | A | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | 0.0000 | |
| 146 | D | A | -0.4027 | |
| 147 | Y | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | E | A | -0.4640 | |
| 151 | P | A | -0.8527 | |
| 152 | V | A | -0.7733 | |
| 153 | T | A | -0.6769 | |
| 154 | V | A | -0.2029 | |
| 155 | S | A | -0.4156 | |
| 156 | W | A | 0.0000 | |
| 157 | N | A | -0.7377 | |
| 158 | S | A | -0.6548 | |
| 159 | G | A | -0.4900 | |
| 160 | A | A | -0.2223 | |
| 161 | L | A | 0.0264 | |
| 162 | T | A | -0.1499 | |
| 163 | S | A | -0.1590 | |
| 164 | G | A | -0.1826 | |
| 165 | V | A | 0.1980 | |
| 166 | H | A | -0.2679 | |
| 167 | T | A | 0.0398 | |
| 168 | F | A | 0.0000 | |
| 169 | P | A | -0.2653 | |
| 170 | A | A | 0.1596 | |
| 171 | V | A | 0.4069 | |
| 172 | L | A | 0.9153 | |
| 173 | Q | A | 0.1732 | |
| 174 | S | A | -0.0976 | |
| 175 | S | A | -0.2139 | |
| 176 | G | A | -0.0370 | |
| 177 | L | A | 0.0408 | |
| 178 | Y | A | 0.2894 | |
| 179 | S | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | T | A | -0.1116 | |
| 186 | V | A | 0.0000 | |
| 187 | P | A | -0.6064 | |
| 188 | S | A | -0.5653 | |
| 189 | S | A | -0.5639 | |
| 190 | S | A | -0.5323 | |
| 191 | L | A | -0.7395 | |
| 192 | G | A | -0.9242 | |
| 193 | T | A | -0.6457 | |
| 194 | Q | A | -1.0836 | |
| 195 | T | A | -1.0331 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | -1.2175 | |
| 198 | C | A | 0.0000 | |
| 199 | N | A | -1.4890 | |
| 200 | V | A | 0.0000 | |
| 201 | N | A | -2.1862 | |
| 202 | H | A | 0.0000 | |
| 203 | K | A | -2.7905 | |
| 204 | P | A | -1.6241 | |
| 205 | S | A | -1.8142 | |
| 206 | N | A | -2.5991 | |
| 207 | T | A | -2.1052 | |
| 208 | K | A | -2.7756 | |
| 209 | V | A | -1.5753 | |
| 210 | D | A | -2.4184 | |
| 211 | K | A | -2.0024 | |
| 212 | K | A | -2.3548 | |
| 213 | V | A | 0.0000 | |
| 214 | E | A | -2.8297 | |
| 215 | P | A | -1.8679 | |
| 216 | K | A | -2.2840 | |
| 217 | S | A | -1.7172 | |
| 218 | C | A | -1.3035 | |
| 219 | D | A | -2.6709 | |
| 220 | K | A | -2.6880 | |
| 221 | T | A | -1.8438 | |
| 222 | H | A | -1.8907 | |
| 223 | T | A | -0.8400 | |
| 1 | G | B | -0.9261 | |
| 2 | G | B | -1.1055 | |
| 3 | K | B | -1.6008 | |
| 4 | L | B | -0.2384 | |
| 5 | S | B | -1.3193 | |
| 6 | R | B | -2.6662 | mutated: WR6B |
| 7 | H | B | -2.5216 | mutated: YH7B |
| 8 | H | B | -2.1675 | |
| 9 | W | B | -1.3536 | |
| 10 | R | B | -2.0769 | |
| 11 | S | B | -0.9373 | |
| 12 | S | B | -0.0909 | |
| 13 | F | B | 1.2080 | |
| 14 | V | B | 0.8030 | |
| 15 | D | B | -1.1813 | |
| 16 | S | B | -1.0456 | |
| 17 | T | B | -1.1689 | |
| 18 | H | B | -1.7315 | |
| 19 | G | B | -1.3469 | |
| 20 | G | B | -1.2799 | |
| 21 | G | B | -1.1284 | |
| 22 | S | B | -0.8803 | |
| 23 | S | B | -0.8713 | |
| 24 | G | B | -0.7485 | |
| 25 | G | B | -0.5255 | |
| 26 | S | B | 0.0476 | |
| 27 | L | B | 0.7739 | |
| 28 | S | B | -0.3478 | |
| 29 | G | B | -1.3452 | |
| 30 | R | B | -2.7418 | |
| 31 | S | B | -2.6542 | |
| 32 | D | B | -3.4694 | |
| 33 | N | B | -2.9852 | |
| 34 | H | B | -2.3004 | |
| 35 | T | B | -1.3477 | |
| 36 | P | B | -0.6110 | |
| 37 | A | B | -0.0797 | |
| 38 | G | B | 0.1687 | |
| 39 | L | B | 1.1178 | |
| 40 | T | B | 0.2646 | |
| 41 | G | B | -0.1692 | |
| 42 | P | B | -0.5771 | |
| 43 | G | B | -1.2268 | |
| 44 | G | B | -1.2381 | |
| 45 | S | B | -1.2403 | |
| 46 | E | B | -1.6880 | |
| 47 | I | B | -1.5447 | |
| 48 | E | B | -2.4475 | |
| 49 | L | B | 0.0000 | |
| 50 | T | B | -1.4787 | |
| 51 | Q | B | 0.0000 | |
| 52 | S | B | -0.7900 | |
| 53 | P | B | -0.4945 | |
| 54 | G | B | -0.7361 | |
| 55 | T | B | -0.3824 | |
| 56 | L | B | -0.1457 | |
| 57 | S | B | -0.4414 | |
| 58 | L | B | -0.9334 | |
| 59 | S | B | -1.5461 | |
| 60 | P | B | -1.9434 | |
| 61 | G | B | -2.3696 | |
| 62 | E | B | -2.9026 | |
| 63 | R | B | -3.2608 | |
| 64 | A | B | 0.0000 | |
| 65 | T | B | -0.5475 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -0.8920 | |
| 68 | C | B | 0.0000 | |
| 69 | R | B | -2.7700 | |
| 70 | A | B | -1.9900 | |
| 71 | S | B | -1.7551 | |
| 72 | Q | B | -1.5578 | |
| 73 | T | B | -1.0760 | |
| 74 | I | B | 0.0000 | |
| 75 | S | B | -1.1728 | |
| 76 | N | B | -1.6626 | |
| 77 | N | B | -1.1497 | |
| 78 | Y | B | -0.6158 | |
| 79 | L | B | 0.0000 | |
| 80 | A | B | 0.0000 | |
| 81 | W | B | 0.0000 | |
| 82 | Y | B | 0.0000 | |
| 83 | Q | B | 0.0000 | |
| 84 | Q | B | 0.0000 | |
| 85 | K | B | -2.2926 | |
| 86 | R | B | -2.9362 | |
| 87 | G | B | -2.2040 | |
| 88 | Q | B | -2.6337 | |
| 89 | A | B | -1.6413 | |
| 90 | P | B | 0.0000 | |
| 91 | R | B | -1.6416 | |
| 92 | L | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | I | B | 0.0000 | |
| 95 | Y | B | 0.0313 | |
| 96 | A | B | -0.4023 | |
| 97 | A | B | 0.0000 | |
| 98 | S | B | -0.5531 | |
| 99 | S | B | -0.6189 | |
| 100 | R | B | -1.5160 | |
| 101 | A | B | 0.0000 | |
| 102 | T | B | -0.6171 | |
| 103 | G | B | -0.9105 | |
| 104 | I | B | 0.0000 | |
| 105 | P | B | -1.3333 | |
| 106 | D | B | -2.4176 | |
| 107 | R | B | -2.0312 | |
| 108 | F | B | 0.0000 | |
| 109 | S | B | -0.9150 | |
| 110 | G | B | 0.0000 | |
| 111 | T | B | -0.5094 | |
| 112 | G | B | -0.9806 | |
| 113 | S | B | -1.1684 | |
| 114 | G | B | -1.2080 | |
| 115 | T | B | -1.5541 | |
| 116 | D | B | -2.0426 | |
| 117 | F | B | 0.0000 | |
| 118 | T | B | -0.7044 | |
| 119 | L | B | 0.0000 | |
| 120 | T | B | -0.7877 | |
| 121 | I | B | 0.0000 | |
| 122 | S | B | -2.4521 | |
| 123 | R | B | -3.5694 | |
| 124 | L | B | 0.0000 | |
| 125 | E | B | -2.6037 | |
| 126 | P | B | -1.5987 | |
| 127 | E | B | -2.2663 | |
| 128 | D | B | 0.0000 | |
| 129 | F | B | -0.5204 | |
| 130 | A | B | 0.0000 | |
| 131 | V | B | -0.2471 | |
| 132 | Y | B | 0.0000 | |
| 133 | Y | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | A | B | 0.0000 | |
| 136 | Q | B | 0.0000 | |
| 137 | G | B | -0.4946 | |
| 138 | E | B | -0.9543 | |
| 139 | L | B | -0.1885 | |
| 140 | Y | B | -0.0630 | |
| 141 | P | B | -0.4465 | |
| 142 | R | B | 0.0000 | |
| 143 | Q | B | -0.5897 | |
| 144 | F | B | -0.3803 | |
| 145 | G | B | 0.0000 | |
| 146 | G | B | -1.0602 | |
| 147 | G | B | -0.6183 | |
| 148 | T | B | 0.0000 | |
| 149 | K | B | -0.4761 | |
| 150 | L | B | 0.0000 | |
| 151 | E | B | 0.0000 | |
| 152 | I | B | -0.5478 | |
| 153 | K | B | -1.4080 | |
| 154 | R | B | -1.0377 | |
| 155 | T | B | -0.1702 | |
| 156 | V | B | 0.2987 | |
| 157 | A | B | -0.0290 | |
| 158 | A | B | -0.1162 | |
| 159 | P | B | 0.0000 | |
| 160 | S | B | -0.2166 | |
| 161 | V | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | P | B | -0.4571 | |
| 166 | P | B | -0.7554 | |
| 167 | S | B | -1.7041 | |
| 168 | D | B | -2.7749 | |
| 169 | E | B | -2.6527 | |
| 170 | Q | B | 0.0000 | |
| 171 | L | B | -2.1380 | |
| 172 | K | B | -2.7281 | |
| 173 | S | B | -1.6889 | |
| 174 | G | B | -1.2161 | |
| 175 | T | B | -0.9250 | |
| 176 | A | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | V | B | 0.0000 | |
| 180 | C | B | 0.0000 | |
| 181 | L | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | N | B | 0.0000 | |
| 184 | N | B | -0.8590 | |
| 185 | F | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | P | B | -1.6182 | |
| 188 | R | B | -2.5940 | |
| 189 | E | B | -2.9330 | |
| 190 | A | B | -1.9873 | |
| 191 | K | B | -1.9430 | |
| 192 | V | B | -0.9057 | |
| 193 | Q | B | -0.7295 | |
| 194 | W | B | 0.0000 | |
| 195 | K | B | -0.7163 | |
| 196 | V | B | 0.0000 | |
| 197 | D | B | -1.8580 | |
| 198 | N | B | -1.5657 | |
| 199 | A | B | -0.4194 | |
| 200 | L | B | 0.3207 | |
| 201 | Q | B | -0.4742 | |
| 202 | S | B | -0.7267 | |
| 203 | G | B | -1.2212 | |
| 204 | N | B | -1.4837 | |
| 205 | S | B | -1.3639 | |
| 206 | Q | B | -1.3153 | |
| 207 | E | B | -1.4588 | |
| 208 | S | B | -0.7792 | |
| 209 | V | B | -0.6865 | |
| 210 | T | B | -1.0342 | |
| 211 | E | B | -2.1390 | |
| 212 | Q | B | -1.6240 | |
| 213 | D | B | -1.7648 | |
| 214 | S | B | -1.6126 | |
| 215 | K | B | -2.1692 | |
| 216 | D | B | -1.5693 | |
| 217 | S | B | 0.0000 | |
| 218 | T | B | 0.0000 | |
| 219 | Y | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | S | B | 0.0000 | |
| 224 | T | B | -0.6371 | |
| 225 | L | B | 0.0000 | |
| 226 | T | B | -0.5844 | |
| 227 | L | B | -0.6959 | |
| 228 | S | B | -0.9004 | |
| 229 | K | B | -1.8685 | |
| 230 | A | B | -1.6858 | |
| 231 | D | B | -2.2275 | |
| 232 | Y | B | 0.0000 | |
| 233 | E | B | -3.2789 | |
| 234 | K | B | -3.4105 | |
| 235 | H | B | -2.7194 | |
| 236 | K | B | -2.8346 | |
| 237 | V | B | -1.2359 | |
| 238 | Y | B | 0.0000 | |
| 239 | A | B | 0.0000 | |
| 240 | C | B | 0.0000 | |
| 241 | E | B | -0.5906 | |
| 242 | V | B | 0.0000 | |
| 243 | T | B | -1.0160 | |
| 244 | H | B | 0.0000 | |
| 245 | Q | B | -1.6650 | |
| 246 | G | B | -0.4207 | |
| 247 | L | B | -0.2024 | |
| 248 | S | B | -0.4315 | |
| 249 | S | B | -0.3760 | |
| 250 | P | B | -0.4038 | |
| 251 | V | B | 0.2505 | |
| 252 | T | B | -0.2336 | |
| 253 | K | B | -0.5622 | |
| 254 | S | B | -0.5862 | |
| 255 | F | B | 0.0000 | |
| 256 | N | B | -1.6107 | |
| 257 | R | B | -2.2254 | |
| 258 | G | B | -1.8577 | |
| 259 | E | B | -1.9879 | |
| 260 | C | B | -1.1643 |
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