| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVRVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARDPFLHYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT
B: GGKLSWYHFRCSFVDCTHGGGSSGGSLSGRSDNHTPAGLTGPGGSEIELTQSPGTLSLSPGERATLSCRASQTISNNYLAWYQQKRGQAPRLLIYAASSRATGIPDRFSGTGSGTDFTLTISRLEPEDFAVYYCAQGELYPRQFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 | CS16B,CS11B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.109506 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 minimization (00:00:01)
[INFO] FoldX: Building mutant model (00:02:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:10)
[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 | -1.7647 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.4936 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.8511 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4214 | |
| 8 | G | A | -0.4845 | |
| 9 | A | A | -0.0183 | |
| 10 | E | A | -0.4369 | |
| 11 | V | A | 0.3038 | |
| 12 | K | A | -1.2134 | |
| 13 | K | A | -2.2889 | |
| 14 | P | A | -2.1676 | |
| 15 | G | A | -1.6465 | |
| 16 | S | A | -1.2975 | |
| 17 | S | A | -1.4656 | |
| 18 | V | A | 0.0000 | |
| 19 | R | A | -2.2735 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.4791 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.4561 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.0493 | |
| 26 | G | A | -1.5061 | |
| 27 | G | A | -1.1825 | |
| 28 | T | A | -0.5236 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | 0.4614 | |
| 31 | S | A | 0.6830 | |
| 32 | Y | A | 0.5472 | |
| 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 | -0.3726 | |
| 39 | Q | A | -0.6132 | |
| 40 | A | A | -0.9697 | |
| 41 | P | A | -0.9749 | |
| 42 | G | A | -1.4041 | |
| 43 | Q | A | -1.7541 | |
| 44 | G | A | -1.1112 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.7098 | |
| 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 | 2.4355 | |
| 55 | F | A | 2.5211 | |
| 56 | G | A | 0.7524 | |
| 57 | T | A | 0.4642 | |
| 58 | A | A | -0.0627 | |
| 59 | N | A | -0.6856 | |
| 60 | Y | A | -1.0547 | |
| 61 | A | A | 0.0000 | |
| 62 | Q | A | -2.6927 | |
| 63 | K | A | -2.6927 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.4591 | |
| 66 | G | A | -1.6540 | |
| 67 | R | A | -1.4658 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.9218 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.4590 | |
| 72 | A | A | -0.3346 | |
| 73 | D | A | -1.2133 | |
| 74 | E | A | -1.4166 | |
| 75 | S | A | -1.0597 | |
| 76 | T | A | -0.9107 | |
| 77 | S | A | -1.1121 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6436 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.6521 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.2260 | |
| 85 | S | A | -1.2847 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.1021 | |
| 88 | S | A | -2.3823 | |
| 89 | E | A | -2.5692 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.8730 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3489 | |
| 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 | -0.0058 | |
| 101 | F | A | 0.0978 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -0.3907 | |
| 104 | Y | A | -0.5823 | |
| 105 | W | A | -0.4703 | |
| 106 | G | A | 0.0000 | |
| 107 | Q | A | -1.1346 | |
| 108 | G | A | -0.4356 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.4148 | |
| 111 | V | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | S | A | -1.2541 | |
| 115 | S | A | -0.9085 | |
| 116 | A | A | -0.5339 | |
| 117 | S | A | -0.5438 | |
| 118 | T | A | -0.5031 | |
| 119 | K | A | -1.1187 | |
| 120 | G | A | -1.3358 | |
| 121 | P | A | 0.0000 | |
| 122 | S | A | -0.3421 | |
| 123 | V | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | P | A | -1.0577 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | -1.2064 | |
| 128 | P | A | 0.0000 | |
| 129 | S | A | -1.1735 | |
| 130 | S | A | -1.0376 | |
| 131 | K | A | -1.5380 | |
| 132 | S | A | 0.0000 | |
| 133 | T | A | -0.9166 | |
| 134 | S | A | -0.8549 | |
| 135 | G | A | -0.8248 | |
| 136 | G | A | -0.8852 | |
| 137 | T | A | -0.6212 | |
| 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 | -0.3697 | |
| 147 | Y | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | E | A | -0.4404 | |
| 151 | P | A | -0.8513 | |
| 152 | V | A | -0.7732 | |
| 153 | T | A | -0.6772 | |
| 154 | V | A | -0.2033 | |
| 155 | S | A | -0.4118 | |
| 156 | W | A | 0.0000 | |
| 157 | N | A | -0.7273 | |
| 158 | S | A | -0.6476 | |
| 159 | G | A | -0.4867 | |
| 160 | A | A | -0.2201 | |
| 161 | L | A | 0.0278 | |
| 162 | T | A | -0.1498 | |
| 163 | S | A | -0.1598 | |
| 164 | G | A | -0.1830 | |
| 165 | V | A | 0.1974 | |
| 166 | H | A | -0.2671 | |
| 167 | T | A | 0.0397 | |
| 168 | F | A | 0.0000 | |
| 169 | P | A | -0.2423 | |
| 170 | A | A | 0.2094 | |
| 171 | V | A | 0.5099 | |
| 172 | L | A | 1.1279 | |
| 173 | Q | A | 0.2776 | |
| 174 | S | A | -0.0487 | |
| 175 | S | A | -0.1768 | |
| 176 | G | A | 0.0226 | |
| 177 | L | A | 0.1038 | |
| 178 | Y | A | 0.3766 | |
| 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 | -0.1117 | |
| 186 | V | A | 0.0000 | |
| 187 | P | A | -0.6077 | |
| 188 | S | A | -0.5659 | |
| 189 | S | A | -0.5649 | |
| 190 | S | A | -0.5350 | |
| 191 | L | A | -0.7420 | |
| 192 | G | A | -0.9264 | |
| 193 | T | A | -0.6497 | |
| 194 | Q | A | -1.0909 | |
| 195 | T | A | -1.0400 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | -1.2166 | |
| 198 | C | A | 0.0000 | |
| 199 | N | A | -1.4853 | |
| 200 | V | A | 0.0000 | |
| 201 | N | A | -2.1862 | |
| 202 | H | A | 0.0000 | |
| 203 | K | A | -2.7911 | |
| 204 | P | A | -1.6261 | |
| 205 | S | A | -1.8165 | |
| 206 | N | A | -2.6002 | |
| 207 | T | A | -2.1069 | |
| 208 | K | A | -2.7746 | |
| 209 | V | A | -1.5750 | |
| 210 | D | A | -2.4130 | |
| 211 | K | A | -2.0068 | |
| 212 | K | A | -2.3788 | |
| 213 | V | A | 0.0000 | |
| 214 | E | A | -2.8371 | |
| 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 | -1.1060 | |
| 3 | K | B | -1.1713 | |
| 4 | L | B | 0.8101 | |
| 5 | S | B | 1.0002 | |
| 6 | W | B | 1.6766 | |
| 7 | Y | B | 1.4812 | |
| 8 | H | B | 0.1671 | |
| 9 | F | B | 0.8991 | |
| 10 | R | B | -0.5836 | |
| 11 | S | B | -0.3490 | mutated: CS11B |
| 12 | S | B | 0.1013 | |
| 13 | F | B | 1.3488 | |
| 14 | V | B | 0.8186 | |
| 15 | D | B | -1.1734 | |
| 16 | S | B | -1.0410 | mutated: CS16B |
| 17 | T | B | -1.1677 | |
| 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 | -1.2295 | |
| 44 | G | B | -1.2435 | |
| 45 | S | B | -1.2488 | |
| 46 | E | B | -1.7063 | |
| 47 | I | B | -1.5726 | |
| 48 | E | B | -2.4808 | |
| 49 | L | B | 0.0000 | |
| 50 | T | B | -1.5015 | |
| 51 | Q | B | 0.0000 | |
| 52 | S | B | -0.7934 | |
| 53 | P | B | -0.5018 | |
| 54 | G | B | -0.7406 | |
| 55 | T | B | -0.3877 | |
| 56 | L | B | -0.1549 | |
| 57 | S | B | -0.4525 | |
| 58 | L | B | -0.9599 | |
| 59 | S | B | -1.5786 | |
| 60 | P | B | -1.9789 | |
| 61 | G | B | -2.4071 | |
| 62 | E | B | -2.9686 | |
| 63 | R | B | -3.2945 | |
| 64 | A | B | 0.0000 | |
| 65 | T | B | -0.5489 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -0.8902 | |
| 68 | C | B | 0.0000 | |
| 69 | R | B | -2.7639 | |
| 70 | A | B | -1.9869 | |
| 71 | S | B | -1.7573 | |
| 72 | Q | B | -1.5636 | |
| 73 | T | B | -1.0762 | |
| 74 | I | B | 0.0000 | |
| 75 | S | B | -1.2453 | |
| 76 | N | B | -1.7346 | |
| 77 | N | B | -1.2108 | |
| 78 | Y | B | -0.7596 | |
| 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 | -2.3143 | |
| 86 | R | B | -2.9452 | |
| 87 | G | B | -2.2069 | |
| 88 | Q | B | -2.6413 | |
| 89 | A | B | -1.6456 | |
| 90 | P | B | 0.0000 | |
| 91 | R | B | -1.6524 | |
| 92 | L | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | I | B | 0.0000 | |
| 95 | Y | B | 0.0423 | |
| 96 | A | B | -0.4567 | |
| 97 | A | B | 0.0000 | |
| 98 | S | B | -0.5462 | |
| 99 | S | B | -0.6051 | |
| 100 | R | B | -1.4881 | |
| 101 | A | B | 0.0000 | |
| 102 | T | B | -0.6103 | |
| 103 | G | B | -0.9064 | |
| 104 | I | B | 0.0000 | |
| 105 | P | B | -1.3325 | |
| 106 | D | B | -2.4169 | |
| 107 | R | B | -2.0418 | |
| 108 | F | B | 0.0000 | |
| 109 | S | B | -0.9132 | |
| 110 | G | B | 0.0000 | |
| 111 | T | B | -0.5073 | |
| 112 | G | B | -0.9747 | |
| 113 | S | B | -1.1634 | |
| 114 | G | B | -1.2047 | |
| 115 | T | B | -1.5481 | |
| 116 | D | B | -2.0269 | |
| 117 | F | B | 0.0000 | |
| 118 | T | B | -0.7010 | |
| 119 | L | B | 0.0000 | |
| 120 | T | B | -0.7896 | |
| 121 | I | B | 0.0000 | |
| 122 | S | B | -2.4696 | |
| 123 | R | B | -3.5991 | |
| 124 | L | B | 0.0000 | |
| 125 | E | B | -2.6449 | |
| 126 | P | B | -1.6150 | |
| 127 | E | B | -2.2793 | |
| 128 | D | B | 0.0000 | |
| 129 | F | B | -0.5317 | |
| 130 | A | B | 0.0000 | |
| 131 | V | B | -0.2537 | |
| 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 | -0.7400 | |
| 138 | E | B | -1.4134 | |
| 139 | L | B | -0.3695 | |
| 140 | Y | B | -0.1764 | |
| 141 | P | B | -0.5324 | |
| 142 | R | B | 0.0000 | |
| 143 | Q | B | -0.6866 | |
| 144 | F | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | G | B | -1.1062 | |
| 147 | G | B | -0.6513 | |
| 148 | T | B | 0.0000 | |
| 149 | K | B | -0.4809 | |
| 150 | L | B | 0.0000 | |
| 151 | E | B | 0.0000 | |
| 152 | I | B | -0.5600 | |
| 153 | K | B | -1.4274 | |
| 154 | R | B | -1.0464 | |
| 155 | T | B | -0.1736 | |
| 156 | V | B | 0.3007 | |
| 157 | A | B | -0.0250 | |
| 158 | A | B | -0.1165 | |
| 159 | P | B | 0.0000 | |
| 160 | S | B | -0.2173 | |
| 161 | V | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | P | B | -0.4622 | |
| 166 | P | B | -0.7581 | |
| 167 | S | B | -1.7020 | |
| 168 | D | B | -2.7719 | |
| 169 | E | B | -2.6464 | |
| 170 | Q | B | 0.0000 | |
| 171 | L | B | -2.1345 | |
| 172 | K | B | -2.7255 | |
| 173 | S | B | -1.6872 | |
| 174 | G | B | -1.2147 | |
| 175 | T | B | -0.9253 | |
| 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 | -0.8544 | |
| 185 | F | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | P | B | -1.6019 | |
| 188 | R | B | -2.5531 | |
| 189 | E | B | -2.9149 | |
| 190 | A | B | -1.9809 | |
| 191 | K | B | -1.9444 | |
| 192 | V | B | -0.9061 | |
| 193 | Q | B | -0.7229 | |
| 194 | W | B | 0.0000 | |
| 195 | K | B | -0.7218 | |
| 196 | V | B | 0.0000 | |
| 197 | D | B | -1.9761 | |
| 198 | N | B | -1.6161 | |
| 199 | A | B | -0.4323 | |
| 200 | L | B | 0.3003 | |
| 201 | Q | B | -0.4839 | |
| 202 | S | B | -0.7327 | |
| 203 | G | B | -1.2264 | |
| 204 | N | B | -1.4948 | |
| 205 | S | B | -1.3678 | |
| 206 | Q | B | -1.2899 | |
| 207 | E | B | -1.4591 | |
| 208 | S | B | -0.7783 | |
| 209 | V | B | -0.6785 | |
| 210 | T | B | -1.0257 | |
| 211 | E | B | -2.1265 | |
| 212 | Q | B | -1.6145 | |
| 213 | D | B | -1.7624 | |
| 214 | S | B | -1.6112 | |
| 215 | K | B | -2.1682 | |
| 216 | D | B | -1.5675 | |
| 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 | -0.6389 | |
| 225 | L | B | 0.0000 | |
| 226 | T | B | -0.5894 | |
| 227 | L | B | -0.7014 | |
| 228 | S | B | -0.9031 | |
| 229 | K | B | -1.8672 | |
| 230 | A | B | -1.6877 | |
| 231 | D | B | -2.2359 | |
| 232 | Y | B | 0.0000 | |
| 233 | E | B | -3.3578 | |
| 234 | K | B | -3.5035 | |
| 235 | H | B | -2.9341 | |
| 236 | K | B | -3.2640 | |
| 237 | V | B | -1.4560 | |
| 238 | Y | B | 0.0000 | |
| 239 | A | B | 0.0000 | |
| 240 | C | B | 0.0000 | |
| 241 | E | B | -0.5963 | |
| 242 | V | B | 0.0000 | |
| 243 | T | B | -1.0208 | |
| 244 | H | B | 0.0000 | |
| 245 | Q | B | -1.6620 | |
| 246 | G | B | -0.4214 | |
| 247 | L | B | -0.2039 | |
| 248 | S | B | -0.4326 | |
| 249 | S | B | -0.3782 | |
| 250 | P | B | -0.4103 | |
| 251 | V | B | 0.2428 | |
| 252 | T | B | -0.2391 | |
| 253 | K | B | -0.5747 | |
| 254 | S | B | -0.5979 | |
| 255 | F | B | 0.0000 | |
| 256 | N | B | -1.7652 | |
| 257 | R | B | -2.4032 | |
| 258 | G | B | -1.9381 | |
| 259 | E | B | -2.0442 | |
| 260 | C | B | -1.1702 |
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