| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVRVSCKASGGTFSSYAISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARDPFLHYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT
B: GGKLSRHHWRSSFVDSTHGGGSSGGSLSGRSDNHTPAGLTGPGGSEIELTQSPGTLSLSPGERATLSCRASQTISNNYLAWYQQKRGQAPRLLIYAASSRATGIPDRFSGTGSGTDFTLTISRLEPEDFAVYYCAQGELYPRQFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 | FW13B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.342635 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 (00:01:49)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:01:57)
[INFO] Main: Simulation completed successfully. (00:02:00)
|
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 | -1.2059 | |
| 28 | T | A | -0.5616 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | 0.3683 | |
| 31 | S | A | 0.5620 | |
| 32 | Y | A | 0.3298 | |
| 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 | -0.6164 | |
| 40 | A | A | -0.9726 | |
| 41 | P | A | -0.9775 | |
| 42 | G | A | -1.4040 | |
| 43 | Q | A | -1.7529 | |
| 44 | G | A | -1.0781 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.6556 | |
| 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 | 2.2820 | |
| 55 | F | A | 2.2595 | |
| 56 | G | A | 0.6250 | |
| 57 | T | A | 0.3834 | |
| 58 | A | A | -0.0933 | |
| 59 | N | A | -0.6678 | |
| 60 | Y | A | -1.0440 | |
| 61 | A | A | 0.0000 | |
| 62 | Q | A | -2.6877 | |
| 63 | K | A | -2.6926 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.4565 | |
| 66 | G | A | -1.6530 | |
| 67 | R | A | -1.4642 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.9208 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.4596 | |
| 72 | A | A | -0.3644 | |
| 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 | -0.8766 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3318 | |
| 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 | -0.0122 | |
| 101 | F | A | 0.1744 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -0.3943 | |
| 104 | Y | A | -0.5789 | |
| 105 | W | A | -0.4672 | |
| 106 | G | A | 0.0000 | |
| 107 | Q | A | -1.1355 | |
| 108 | G | A | -0.4396 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.4141 | |
| 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 | -0.5002 | |
| 119 | K | A | -1.1149 | |
| 120 | G | A | -1.3331 | |
| 121 | P | A | 0.0000 | |
| 122 | S | A | -0.3444 | |
| 123 | V | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | P | A | -1.0547 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | -1.2029 | |
| 128 | P | A | 0.0000 | |
| 129 | S | A | -1.1683 | |
| 130 | S | A | -1.0296 | |
| 131 | K | A | -1.5202 | |
| 132 | S | A | 0.0000 | |
| 133 | T | A | -0.9087 | |
| 134 | S | A | -0.8469 | |
| 135 | G | A | -0.8221 | |
| 136 | G | A | -0.8834 | |
| 137 | T | A | -0.6192 | |
| 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 | -0.4636 | |
| 151 | P | A | -0.8523 | |
| 152 | V | A | -0.7730 | |
| 153 | T | A | -0.6769 | |
| 154 | V | A | -0.2029 | |
| 155 | S | A | -0.4170 | |
| 156 | W | A | 0.0000 | |
| 157 | N | A | -0.7444 | |
| 158 | S | A | -0.6580 | |
| 159 | G | A | -0.4915 | |
| 160 | A | A | -0.2232 | |
| 161 | L | A | 0.0268 | |
| 162 | T | A | -0.1495 | |
| 163 | S | A | -0.1582 | |
| 164 | G | A | -0.1821 | |
| 165 | V | A | 0.1985 | |
| 166 | H | A | -0.2667 | |
| 167 | T | A | 0.0411 | |
| 168 | F | A | 0.0000 | |
| 169 | P | A | -0.2629 | |
| 170 | A | A | 0.1608 | |
| 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 | -0.6058 | |
| 188 | S | A | -0.5650 | |
| 189 | S | A | -0.5634 | |
| 190 | S | A | -0.5309 | |
| 191 | L | A | -0.7382 | |
| 192 | G | A | -0.9231 | |
| 193 | T | A | -0.6436 | |
| 194 | Q | A | -1.0795 | |
| 195 | T | A | -1.0322 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | -1.2212 | |
| 198 | C | A | 0.0000 | |
| 199 | N | A | -1.4910 | |
| 200 | V | A | 0.0000 | |
| 201 | N | A | -2.1859 | |
| 202 | H | A | 0.0000 | |
| 203 | K | A | -2.7895 | |
| 204 | P | A | -1.6220 | |
| 205 | S | A | -1.8131 | |
| 206 | N | A | -2.5984 | |
| 207 | T | A | -2.1048 | |
| 208 | K | A | -2.7756 | |
| 209 | V | A | -1.5755 | |
| 210 | D | A | -2.4199 | |
| 211 | K | A | -2.0039 | |
| 212 | K | A | -2.3565 | |
| 213 | V | A | 0.0000 | |
| 214 | E | A | -2.8294 | |
| 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 | -1.1051 | |
| 3 | K | B | -1.5998 | |
| 4 | L | B | -0.2369 | |
| 5 | S | B | -1.3327 | |
| 6 | R | B | -2.6983 | |
| 7 | H | B | -2.5599 | |
| 8 | H | B | -2.2297 | |
| 9 | W | B | -1.5895 | |
| 10 | R | B | -2.2996 | |
| 11 | S | B | -1.1750 | |
| 12 | S | B | -0.4406 | |
| 13 | W | B | 0.5219 | mutated: FW13B |
| 14 | V | B | 0.4854 | |
| 15 | D | B | -1.3477 | |
| 16 | S | B | -1.1356 | |
| 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 | -1.2279 | |
| 44 | G | B | -1.2395 | |
| 45 | S | B | -1.2439 | |
| 46 | E | B | -1.6946 | |
| 47 | I | B | -1.5477 | |
| 48 | E | B | -2.4496 | |
| 49 | L | B | 0.0000 | |
| 50 | T | B | -1.4788 | |
| 51 | Q | B | 0.0000 | |
| 52 | S | B | -0.7898 | |
| 53 | P | B | -0.4926 | |
| 54 | G | B | -0.7357 | |
| 55 | T | B | -0.3822 | |
| 56 | L | B | -0.1451 | |
| 57 | S | B | -0.4415 | |
| 58 | L | B | -0.9304 | |
| 59 | S | B | -1.5388 | |
| 60 | P | B | -1.9310 | |
| 61 | G | B | -2.3541 | |
| 62 | E | B | -2.8864 | |
| 63 | R | B | -3.2520 | |
| 64 | A | B | 0.0000 | |
| 65 | T | B | -0.5471 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -0.8919 | |
| 68 | C | B | 0.0000 | |
| 69 | R | B | -2.7702 | |
| 70 | A | B | -1.9900 | |
| 71 | S | B | -1.7561 | |
| 72 | Q | B | -1.5587 | |
| 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 | -0.6146 | |
| 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 | -2.2936 | |
| 86 | R | B | -2.9362 | |
| 87 | G | B | -2.2040 | |
| 88 | Q | B | -2.6347 | |
| 89 | A | B | -1.6430 | |
| 90 | P | B | 0.0000 | |
| 91 | R | B | -1.6488 | |
| 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 | -1.5161 | |
| 101 | A | B | 0.0000 | |
| 102 | T | B | -0.6172 | |
| 103 | G | B | -0.9106 | |
| 104 | I | B | 0.0000 | |
| 105 | P | B | -1.3337 | |
| 106 | D | B | -2.4177 | |
| 107 | R | B | -2.0281 | |
| 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 | -0.7045 | |
| 119 | L | B | 0.0000 | |
| 120 | T | B | -0.7876 | |
| 121 | I | B | 0.0000 | |
| 122 | S | B | -2.4461 | |
| 123 | R | B | -3.5578 | |
| 124 | L | B | 0.0000 | |
| 125 | E | B | -2.5759 | |
| 126 | P | B | -1.5863 | |
| 127 | E | B | -2.2584 | |
| 128 | D | B | 0.0000 | |
| 129 | F | B | -0.5168 | |
| 130 | A | B | 0.0000 | |
| 131 | V | B | -0.2482 | |
| 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 | -0.4893 | |
| 138 | E | B | -0.9478 | |
| 139 | L | B | -0.1745 | |
| 140 | Y | B | -0.0507 | |
| 141 | P | B | -0.4368 | |
| 142 | R | B | 0.0000 | |
| 143 | Q | B | -0.5904 | |
| 144 | F | B | -0.3821 | |
| 145 | G | B | 0.0000 | |
| 146 | G | B | -1.0613 | |
| 147 | G | B | -0.6189 | |
| 148 | T | B | 0.0000 | |
| 149 | K | B | -0.4784 | |
| 150 | L | B | 0.0000 | |
| 151 | E | B | 0.0000 | |
| 152 | I | B | -0.5494 | |
| 153 | K | B | -1.4087 | |
| 154 | R | B | -1.0377 | |
| 155 | T | B | -0.1702 | |
| 156 | V | B | 0.2912 | |
| 157 | A | B | -0.0362 | |
| 158 | A | B | -0.1162 | |
| 159 | P | B | 0.0000 | |
| 160 | S | B | -0.2163 | |
| 161 | V | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | P | B | -0.4566 | |
| 166 | P | B | -0.7552 | |
| 167 | S | B | -1.7041 | |
| 168 | D | B | -2.7749 | |
| 169 | E | B | -2.6527 | |
| 170 | Q | B | 0.0000 | |
| 171 | L | B | -2.1371 | |
| 172 | K | B | -2.7281 | |
| 173 | S | B | -1.6889 | |
| 174 | G | B | -1.2161 | |
| 175 | T | B | -0.9262 | |
| 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 | -0.8662 | |
| 185 | F | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | P | B | -1.6528 | |
| 188 | R | B | -2.6629 | |
| 189 | E | B | -2.9651 | |
| 190 | A | B | -2.0000 | |
| 191 | K | B | -1.9381 | |
| 192 | V | B | -0.9001 | |
| 193 | Q | B | -0.7285 | |
| 194 | W | B | 0.0000 | |
| 195 | K | B | -0.7158 | |
| 196 | V | B | 0.0000 | |
| 197 | D | B | -1.8569 | |
| 198 | N | B | -1.5649 | |
| 199 | A | B | -0.4190 | |
| 200 | L | B | 0.3204 | |
| 201 | Q | B | -0.4748 | |
| 202 | S | B | -0.7270 | |
| 203 | G | B | -1.2212 | |
| 204 | N | B | -1.4837 | |
| 205 | S | B | -1.3642 | |
| 206 | Q | B | -1.3153 | |
| 207 | E | B | -1.4563 | |
| 208 | S | B | -0.7739 | |
| 209 | V | B | -0.6861 | |
| 210 | T | B | -1.0369 | |
| 211 | E | B | -2.1444 | |
| 212 | Q | B | -1.6328 | |
| 213 | D | B | -1.7645 | |
| 214 | S | B | -1.6123 | |
| 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 | -0.6371 | |
| 225 | L | B | 0.0000 | |
| 226 | T | B | -0.5854 | |
| 227 | L | B | -0.6975 | |
| 228 | S | B | -0.9025 | |
| 229 | K | B | -1.8693 | |
| 230 | A | B | -1.6879 | |
| 231 | D | B | -2.2348 | |
| 232 | Y | B | 0.0000 | |
| 233 | E | B | -3.2740 | |
| 234 | K | B | -3.4105 | |
| 235 | H | B | -2.7192 | |
| 236 | K | B | -2.8311 | |
| 237 | V | B | -1.2315 | |
| 238 | Y | B | 0.0000 | |
| 239 | A | B | 0.0000 | |
| 240 | C | B | 0.0000 | |
| 241 | E | B | -0.5861 | |
| 242 | V | B | 0.0000 | |
| 243 | T | B | -1.0105 | |
| 244 | H | B | 0.0000 | |
| 245 | Q | B | -1.6713 | |
| 246 | G | B | -0.4204 | |
| 247 | L | B | -0.2017 | |
| 248 | S | B | -0.4309 | |
| 249 | S | B | -0.3748 | |
| 250 | P | B | -0.3994 | |
| 251 | V | B | 0.2531 | |
| 252 | T | B | -0.2308 | |
| 253 | K | B | -0.5584 | |
| 254 | S | B | -0.5829 | |
| 255 | F | B | 0.0000 | |
| 256 | N | B | -1.6081 | |
| 257 | R | B | -2.2208 | |
| 258 | G | B | -1.8552 | |
| 259 | E | B | -1.9872 | |
| 260 | C | B | -1.1639 |
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