| Chain sequence(s) |
A: QVQLQQSGPQLVRPGASVKISCKASGYSFTTYWMHWMKQRPGQGLEWIGVIDPSDSETRLSQKFKYKATLTVDKSSSTVYMQLSSPTSEDSAVYFCARGEFITTVWFDYWGQGTTLKVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
B: IQMTQSTSSLSASLGDRVTIICRPSQDISNYLNWYQQKPDGTVKLLIYYASRLHSGVPSRFSGSGSGRHYSLTISNLEQEDIATYFCQQGDTLPYTFGGGTKLEIKRGLAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LE154B,LV110B,GT109B,LE11A,LK177A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.09405 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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:04)
[INFO] FoldX: Building mutant model (00:03:21)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:36)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:43)
[INFO] Movie: Creting movie with webm format (00:19:43)
[INFO] Main: Simulation completed successfully. (00:19:54)
|
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 | |
| 2 | I | B | -0.4664 | |
| 3 | Q | B | -1.4112 | |
| 4 | M | B | -1.4088 | |
| 5 | T | B | -1.1490 | |
| 6 | Q | B | -0.7841 | |
| 7 | S | B | -0.7516 | |
| 8 | T | B | -0.4527 | |
| 9 | S | B | -0.7728 | |
| 10 | S | B | -0.8549 | |
| 11 | L | B | -0.4104 | |
| 12 | S | B | -0.8570 | |
| 13 | A | B | 0.0000 | |
| 14 | S | B | -0.7816 | |
| 15 | L | B | -0.3192 | |
| 16 | G | B | -1.3651 | |
| 17 | D | B | -1.8644 | |
| 18 | R | B | -2.5703 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.4890 | |
| 21 | I | B | 0.0000 | |
| 22 | I | B | -0.3674 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -3.3141 | |
| 25 | P | B | 0.0000 | |
| 26 | S | B | -2.2386 | |
| 27 | Q | B | -3.0385 | |
| 28 | D | B | -3.5088 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -1.4730 | |
| 31 | N | B | -0.8922 | |
| 32 | Y | B | -0.0210 | |
| 33 | L | B | 0.0000 | |
| 34 | N | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | -1.3830 | |
| 39 | K | B | -1.9739 | |
| 40 | P | B | -1.8586 | |
| 41 | D | B | -2.3182 | |
| 42 | G | B | -1.8690 | |
| 43 | T | B | -1.2480 | |
| 44 | V | B | 0.0000 | |
| 45 | K | B | -1.3754 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.0913 | |
| 50 | Y | B | 0.2204 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.8987 | |
| 53 | R | B | -1.4271 | |
| 54 | L | B | -0.3455 | |
| 55 | H | B | -0.5472 | |
| 56 | S | B | -0.5266 | |
| 57 | G | B | -0.4610 | |
| 58 | V | B | -0.3136 | |
| 59 | P | B | -0.3186 | |
| 60 | S | B | -0.5588 | |
| 61 | R | B | -1.2184 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.6405 | |
| 64 | G | B | -0.4758 | |
| 65 | S | B | -0.7686 | |
| 66 | G | B | -1.1825 | |
| 67 | S | B | -1.6352 | |
| 68 | G | B | -2.6355 | |
| 69 | R | B | -3.9812 | |
| 70 | H | B | -2.8141 | |
| 71 | Y | B | 0.0000 | |
| 72 | S | B | -0.5430 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.7346 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -2.0292 | |
| 77 | N | B | -2.3936 | |
| 78 | L | B | 0.0000 | |
| 79 | E | B | -2.1783 | |
| 80 | Q | B | -2.1126 | |
| 81 | E | B | -2.5545 | |
| 82 | D | B | 0.0000 | |
| 83 | I | B | -0.9219 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | F | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | G | B | 0.0000 | |
| 92 | D | B | -0.2885 | |
| 93 | T | B | 0.6337 | |
| 94 | L | B | 0.7555 | |
| 95 | P | B | -0.2565 | |
| 96 | Y | B | 0.0000 | |
| 97 | T | B | -0.3010 | |
| 98 | F | B | -0.3503 | |
| 99 | G | B | 0.0000 | |
| 100 | G | B | -1.0913 | |
| 101 | G | B | -1.0111 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -1.8544 | |
| 104 | L | B | 0.0000 | |
| 105 | E | B | 0.0000 | |
| 106 | I | B | -0.4510 | |
| 107 | K | B | -1.2236 | |
| 108 | R | B | -1.1578 | |
| 109 | T | B | -0.1353 | mutated: GT109B |
| 110 | V | B | 0.5005 | mutated: LV110B |
| 111 | A | B | 0.1500 | |
| 112 | A | B | -0.0821 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | -0.0947 | |
| 115 | V | B | -0.1819 | |
| 116 | F | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | 0.0000 | |
| 120 | P | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | D | B | -2.9503 | |
| 123 | E | B | -3.1138 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -2.1771 | |
| 126 | K | B | -2.7973 | |
| 127 | S | B | -1.7874 | |
| 128 | G | B | -1.2904 | |
| 129 | T | B | -1.0637 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | 0.0000 | |
| 138 | N | B | -0.8357 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | -1.1882 | |
| 142 | R | B | -1.8148 | |
| 143 | E | B | -2.6451 | |
| 144 | A | B | -2.0569 | |
| 145 | K | B | -2.3178 | |
| 146 | V | B | -1.1732 | |
| 147 | Q | B | -1.3553 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -1.9174 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -2.4670 | |
| 152 | N | B | -2.4249 | |
| 153 | A | B | -1.9193 | |
| 154 | E | B | -2.7029 | mutated: LE154B |
| 155 | Q | B | -1.9892 | |
| 156 | S | B | -1.4583 | |
| 157 | G | B | -1.3248 | |
| 158 | N | B | -1.6754 | |
| 159 | S | B | -1.5434 | |
| 160 | Q | B | -1.8316 | |
| 161 | E | B | -1.8734 | |
| 162 | S | B | -0.8769 | |
| 163 | V | B | -0.3829 | |
| 164 | T | B | -0.8554 | |
| 165 | E | B | -1.9204 | |
| 166 | Q | B | 0.0000 | |
| 167 | D | B | -1.7181 | |
| 168 | S | B | -1.6332 | |
| 169 | K | B | -2.3731 | |
| 170 | D | B | -2.0902 | |
| 171 | S | B | -1.7648 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.7807 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.6889 | |
| 181 | L | B | -0.9556 | |
| 182 | S | B | -1.1995 | |
| 183 | K | B | -2.2456 | |
| 184 | A | B | -2.0635 | |
| 185 | D | B | -2.9456 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -3.7820 | |
| 188 | K | B | -3.7881 | |
| 189 | H | B | -2.9605 | |
| 190 | K | B | -3.0094 | |
| 191 | V | B | -1.3375 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.9934 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.2097 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -1.6373 | |
| 200 | G | B | -0.4531 | |
| 201 | L | B | -0.1810 | |
| 202 | S | B | -0.4519 | |
| 203 | S | B | -0.4326 | |
| 204 | P | B | -0.5934 | |
| 205 | V | B | 0.0020 | |
| 206 | T | B | -0.4342 | |
| 207 | K | B | -0.7978 | |
| 208 | S | B | -0.6632 | |
| 209 | F | B | 0.0000 | |
| 210 | N | B | -1.7970 | |
| 211 | R | B | -2.4032 | |
| 212 | G | B | -2.1838 | |
| 213 | E | B | -2.4415 | |
| 1 | Q | A | -1.0559 | |
| 2 | V | A | -0.3221 | |
| 3 | Q | A | -1.5986 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -2.1868 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.2101 | |
| 8 | G | A | -1.0203 | |
| 9 | P | A | -1.1512 | |
| 10 | Q | A | -1.9194 | |
| 11 | E | A | -2.5868 | mutated: LE11A |
| 12 | V | A | -1.9708 | |
| 13 | R | A | -2.4993 | |
| 14 | P | A | -1.5838 | |
| 15 | G | A | -1.1156 | |
| 16 | A | A | -0.8284 | |
| 17 | S | A | -1.0647 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.9901 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -0.9369 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.9059 | |
| 24 | A | A | -1.3392 | |
| 25 | S | A | -0.7469 | |
| 26 | G | A | -0.4662 | |
| 27 | Y | A | 0.8756 | |
| 28 | S | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.2354 | |
| 31 | T | A | 0.1957 | |
| 32 | Y | A | 0.3542 | |
| 33 | W | A | 0.1786 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | M | A | 0.0000 | |
| 38 | K | A | 0.0000 | |
| 39 | Q | A | -1.2345 | |
| 40 | R | A | -2.0286 | |
| 41 | P | A | -1.3039 | |
| 42 | G | A | -1.4788 | |
| 43 | Q | A | -2.1434 | |
| 44 | G | A | -1.4742 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.4519 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -1.5877 | |
| 53 | P | A | 0.0000 | |
| 54 | S | A | -1.8355 | |
| 55 | D | A | -2.7983 | |
| 56 | S | A | -2.3999 | |
| 57 | E | A | -2.7530 | |
| 58 | T | A | -1.9179 | |
| 59 | R | A | -2.3713 | |
| 60 | L | A | -1.5040 | |
| 61 | S | A | 0.0000 | |
| 62 | Q | A | -2.4782 | |
| 63 | K | A | -2.5944 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -2.2486 | |
| 66 | Y | A | -0.0735 | |
| 67 | K | A | -0.5808 | |
| 68 | A | A | 0.0000 | |
| 69 | T | A | -0.7309 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.4459 | |
| 72 | V | A | -1.2634 | |
| 73 | D | A | -1.9935 | |
| 74 | K | A | -2.5224 | |
| 75 | S | A | -1.3207 | |
| 76 | S | A | -1.2650 | |
| 77 | S | A | -1.3057 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.5382 | |
| 81 | M | A | 0.0000 | |
| 82 | Q | A | -1.3255 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -0.5780 | |
| 85 | S | A | -0.5946 | |
| 86 | P | A | 0.0000 | |
| 87 | T | A | -1.2906 | |
| 88 | S | A | -1.4207 | |
| 89 | E | A | -2.0967 | |
| 90 | D | A | 0.0000 | |
| 91 | S | A | -1.2569 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | -0.2971 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | E | A | 0.5005 | |
| 101 | F | A | 1.0447 | |
| 102 | I | A | 2.1085 | |
| 103 | T | A | 1.1302 | |
| 104 | T | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | W | A | 1.0591 | |
| 107 | F | A | 0.0000 | |
| 108 | D | A | 0.0542 | |
| 109 | Y | A | 0.3287 | |
| 110 | W | A | -0.4042 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.7920 | |
| 113 | G | A | -1.0423 | |
| 114 | T | A | 0.0000 | |
| 115 | T | A | -0.8004 | |
| 116 | L | A | 0.0000 | |
| 117 | K | A | -1.7659 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | S | A | -1.1862 | |
| 121 | A | A | -0.8965 | |
| 122 | S | A | -0.9578 | |
| 123 | T | A | -0.7835 | |
| 124 | K | A | -1.4306 | |
| 125 | G | A | -1.5169 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.4539 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.2517 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | S | A | -0.8138 | |
| 136 | K | A | -1.1763 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.6753 | |
| 139 | S | A | -0.6946 | |
| 140 | G | A | -0.8227 | |
| 141 | G | A | -0.8898 | |
| 142 | T | A | -0.6066 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | D | A | -0.7232 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.9573 | |
| 156 | P | A | -0.8858 | |
| 157 | V | A | -0.8095 | |
| 158 | T | A | -0.7259 | |
| 159 | V | A | -0.4292 | |
| 160 | S | A | -0.4633 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.7980 | |
| 163 | S | A | -0.6968 | |
| 164 | G | A | -0.5410 | |
| 165 | A | A | -0.2487 | |
| 166 | L | A | -0.0524 | |
| 167 | T | A | -0.2216 | |
| 168 | S | A | -0.2834 | |
| 169 | G | A | -0.4382 | |
| 170 | V | A | 0.0972 | |
| 171 | H | A | -0.3006 | |
| 172 | T | A | 0.0270 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.5882 | |
| 175 | A | A | -0.3917 | |
| 176 | V | A | -0.7475 | |
| 177 | K | A | -1.2525 | mutated: LK177A |
| 178 | Q | A | -0.8657 | |
| 179 | S | A | -0.5792 | |
| 180 | S | A | -0.5882 | |
| 181 | G | A | -0.5630 | |
| 182 | L | A | -0.6346 | |
| 183 | Y | A | -0.5967 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | -0.1666 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.2117 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6243 | |
| 193 | S | A | -0.6493 | |
| 194 | S | A | -0.5828 | |
| 195 | S | A | -0.5648 | |
| 196 | L | A | -0.6862 | |
| 197 | G | A | -0.8708 | |
| 198 | T | A | -0.6787 | |
| 199 | Q | A | -0.9863 | |
| 200 | T | A | -1.1398 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -1.3634 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -1.6114 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -2.2914 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.7898 | |
| 209 | P | A | -1.7162 | |
| 210 | S | A | -1.9209 | |
| 211 | N | A | -2.6221 | |
| 212 | T | A | -2.1899 | |
| 213 | K | A | -2.8056 | |
| 214 | V | A | -1.7087 | |
| 215 | D | A | -2.6220 | |
| 216 | K | A | -2.2369 | |
| 217 | K | A | -2.6002 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.5499 | |
| 220 | P | A | -1.5394 | |
| 221 | K | A | -1.7447 | |
| 222 | S | A | -1.2707 | |
| 223 | C | A | -1.3626 |
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