| Chain sequence(s) |
A: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQSPEKGLEWIGEINHGGYVTYNPSLESRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDYGPGNYDWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
B: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPALTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WS7A,QE6A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.55509 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 (00:02:23)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:46)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:40)
[INFO] Main: Simulation completed successfully. (00:04:43)
|
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 | Q | A | -1.2493 | |
| 2 | V | A | -0.5615 | |
| 3 | Q | A | -1.3315 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.7743 | |
| 6 | E | A | -1.3510 | mutated: QE6A |
| 7 | S | A | -0.8424 | mutated: WS7A |
| 8 | G | A | -0.3767 | |
| 9 | A | A | 0.0118 | |
| 10 | G | A | 0.3381 | |
| 11 | L | A | 0.4832 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -1.2526 | |
| 14 | P | A | -0.9726 | |
| 15 | S | A | -1.2164 | |
| 16 | E | A | -1.7335 | |
| 17 | T | A | -1.2470 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.8339 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.6963 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | Y | A | -0.2393 | |
| 26 | G | A | -0.5197 | |
| 27 | G | A | -0.5079 | |
| 28 | S | A | -0.3149 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.6701 | |
| 31 | G | A | -0.5339 | |
| 32 | Y | A | -0.0021 | |
| 33 | Y | A | 0.4726 | |
| 34 | W | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5409 | |
| 40 | S | A | -1.1718 | |
| 41 | P | A | -1.6555 | |
| 42 | E | A | -2.8392 | |
| 43 | K | A | -2.8277 | |
| 44 | G | A | -1.7755 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | 0.0000 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | E | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | 0.0551 | |
| 53 | H | A | -0.7776 | |
| 54 | G | A | -0.3913 | |
| 55 | G | A | 0.1498 | |
| 56 | Y | A | 1.4290 | |
| 57 | V | A | 1.4810 | |
| 58 | T | A | 0.4398 | |
| 59 | Y | A | -0.3840 | |
| 60 | N | A | -0.8367 | |
| 61 | P | A | -1.3028 | |
| 62 | S | A | -0.9529 | |
| 63 | L | A | 0.0000 | |
| 64 | E | A | -2.1988 | |
| 65 | S | A | -1.3997 | |
| 66 | R | A | -1.3671 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.7498 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -0.1931 | |
| 71 | V | A | -0.5472 | |
| 72 | D | A | -1.4626 | |
| 73 | T | A | -1.3716 | |
| 74 | S | A | -1.4030 | |
| 75 | K | A | -2.1393 | |
| 76 | N | A | -1.5074 | |
| 77 | Q | A | -1.3381 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.5594 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -1.2920 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.0064 | |
| 84 | S | A | -1.0718 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.4724 | |
| 87 | A | A | -0.1345 | |
| 88 | A | A | -0.4110 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.1349 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | 0.6979 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | R | A | -0.1113 | |
| 98 | D | A | 0.0000 | |
| 99 | Y | A | -0.0345 | |
| 100 | G | A | -0.5878 | |
| 101 | P | A | -0.7464 | |
| 102 | G | A | -1.1961 | |
| 103 | N | A | -1.5394 | |
| 104 | Y | A | -0.7112 | |
| 105 | D | A | -0.5701 | |
| 106 | W | A | -0.2906 | |
| 107 | Y | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | D | A | -0.6285 | |
| 110 | L | A | -0.4165 | |
| 111 | W | A | -0.9635 | |
| 112 | G | A | 0.0000 | |
| 113 | R | A | -2.3330 | |
| 114 | G | A | 0.0000 | |
| 115 | T | A | 0.0396 | |
| 116 | L | A | 1.2834 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | 0.3067 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -0.3404 | |
| 121 | S | A | -0.5759 | |
| 122 | A | A | -0.6353 | |
| 123 | S | A | -0.8118 | |
| 124 | T | A | -1.2067 | |
| 125 | K | A | -2.0696 | |
| 126 | G | A | -1.8595 | |
| 127 | P | A | 0.0000 | |
| 128 | S | A | -0.6257 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | P | A | -1.0457 | |
| 132 | L | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | S | A | -0.6176 | |
| 136 | S | A | -0.6596 | |
| 140 | S | A | -0.6703 | |
| 141 | G | A | -0.8627 | |
| 142 | G | A | -0.8767 | |
| 143 | T | A | -0.6054 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | K | A | 0.0000 | |
| 152 | D | A | -0.9578 | |
| 153 | Y | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | P | A | -1.0587 | |
| 156 | E | A | -1.2863 | |
| 157 | P | A | -1.1434 | |
| 158 | V | A | -0.8564 | |
| 159 | T | A | -0.5958 | |
| 160 | V | A | -0.3410 | |
| 161 | S | A | -0.3417 | |
| 162 | W | A | 0.0000 | |
| 163 | N | A | -0.7253 | |
| 164 | S | A | -0.6677 | |
| 165 | G | A | -0.5829 | |
| 166 | A | A | -0.2663 | |
| 167 | L | A | -0.0132 | |
| 168 | T | A | -0.1232 | |
| 169 | S | A | -0.1416 | |
| 170 | G | A | -0.0527 | |
| 171 | V | A | 0.1996 | |
| 172 | H | A | -0.1432 | |
| 173 | T | A | -0.0043 | |
| 174 | F | A | 0.0000 | |
| 175 | P | A | -0.3141 | |
| 176 | A | A | 0.1755 | |
| 177 | V | A | 0.6418 | |
| 178 | L | A | 1.2039 | |
| 179 | Q | A | 0.1842 | |
| 180 | S | A | -0.0473 | |
| 181 | S | A | -0.2388 | |
| 182 | G | A | 0.0328 | |
| 183 | L | A | -0.2182 | |
| 184 | Y | A | 0.1643 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | T | A | -0.0855 | |
| 192 | V | A | 0.0000 | |
| 193 | P | A | -0.5810 | |
| 194 | S | A | -0.5709 | |
| 195 | S | A | -0.5919 | |
| 196 | S | A | -0.6499 | |
| 197 | L | A | -0.8954 | |
| 198 | G | A | -1.1419 | |
| 199 | T | A | -0.8737 | |
| 200 | Q | A | -1.5640 | |
| 201 | T | A | -1.2907 | |
| 202 | Y | A | 0.0000 | |
| 203 | I | A | -1.2581 | |
| 204 | C | A | 0.0000 | |
| 205 | N | A | -1.3802 | |
| 206 | V | A | 0.0000 | |
| 207 | N | A | -1.8205 | |
| 208 | H | A | 0.0000 | |
| 209 | K | A | -2.8363 | |
| 210 | P | A | -1.9195 | |
| 211 | S | A | -2.0585 | |
| 212 | N | A | -2.4821 | |
| 213 | T | A | -2.2929 | |
| 214 | K | A | -2.6193 | |
| 215 | V | A | -1.5506 | |
| 216 | D | A | -2.4041 | |
| 217 | K | A | -1.9511 | |
| 218 | K | A | -2.5767 | |
| 219 | V | A | 0.0000 | |
| 220 | E | A | -2.9034 | |
| 221 | P | A | -1.9768 | |
| 222 | K | A | -2.4941 | |
| 1 | E | B | -1.5002 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.6538 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.6674 | |
| 6 | Q | B | -0.8328 | |
| 7 | S | B | -0.7965 | |
| 8 | P | B | -0.4061 | |
| 9 | A | B | -0.4419 | |
| 10 | T | B | -0.4853 | |
| 11 | L | B | -0.2637 | |
| 12 | S | B | -0.6320 | |
| 13 | L | B | -0.9799 | |
| 14 | S | B | -1.3888 | |
| 15 | P | B | -1.7366 | |
| 16 | G | B | -1.8825 | |
| 17 | E | B | -2.5092 | |
| 18 | R | B | -2.7326 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6820 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.8993 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.2648 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.8383 | |
| 27 | Q | B | -1.1651 | |
| 28 | S | B | -1.0195 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.5673 | |
| 31 | S | B | -0.4224 | |
| 32 | Y | B | 0.1184 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -1.4786 | |
| 40 | P | B | -1.3025 | |
| 41 | G | B | -1.5529 | |
| 42 | Q | B | -2.2276 | |
| 43 | A | B | -1.4909 | |
| 44 | P | B | 0.0000 | |
| 45 | R | B | -1.3549 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | -0.7110 | |
| 50 | D | B | -0.7887 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -1.2566 | |
| 53 | N | B | -1.9166 | |
| 54 | R | B | -1.7035 | |
| 55 | A | B | -1.0979 | |
| 56 | T | B | -0.6842 | |
| 57 | G | B | -0.5539 | |
| 58 | I | B | -0.4578 | |
| 59 | P | B | -0.3303 | |
| 60 | A | B | -0.3025 | |
| 61 | R | B | -0.7034 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.6962 | |
| 64 | G | B | -0.7955 | |
| 65 | S | B | -0.8076 | |
| 66 | G | B | -0.9022 | |
| 67 | S | B | -0.8573 | |
| 68 | G | B | -1.0504 | |
| 69 | T | B | -1.6083 | |
| 70 | D | B | -2.1588 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.7646 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.5569 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.2314 | |
| 77 | S | B | -1.7825 | |
| 78 | L | B | 0.0000 | |
| 79 | E | B | -2.1018 | |
| 80 | P | B | -1.5525 | |
| 81 | E | B | -2.2349 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | -0.7560 | |
| 84 | A | B | 0.0000 | |
| 85 | V | B | -0.4607 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | R | B | -0.3098 | |
| 92 | S | B | -0.6588 | |
| 93 | N | B | -0.8775 | |
| 94 | W | B | 0.2067 | |
| 95 | P | B | -0.2829 | |
| 96 | P | B | -0.8610 | |
| 97 | A | B | -0.6648 | |
| 98 | L | B | 0.0000 | |
| 99 | T | B | -0.0111 | |
| 100 | F | B | 0.0000 | |
| 101 | G | B | 0.0000 | |
| 102 | G | B | -0.7591 | |
| 103 | G | B | -0.6085 | |
| 104 | T | B | 0.0000 | |
| 105 | K | B | -1.0974 | |
| 106 | V | B | 0.0000 | |
| 107 | E | B | -0.5509 | |
| 108 | I | B | -0.6148 | |
| 109 | K | B | -1.1689 | |
| 110 | R | B | -0.8643 | |
| 111 | T | B | -0.1154 | |
| 112 | V | B | 0.3718 | |
| 113 | A | B | -0.0205 | |
| 114 | A | B | -0.1184 | |
| 115 | P | B | 0.0000 | |
| 116 | S | B | -0.2120 | |
| 117 | V | B | 0.0000 | |
| 118 | F | B | -0.0954 | |
| 119 | I | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | P | B | -0.4353 | |
| 122 | P | B | 0.0000 | |
| 123 | S | B | 0.0000 | |
| 124 | D | B | -2.6045 | |
| 125 | E | B | -2.5310 | |
| 126 | Q | B | 0.0000 | |
| 127 | L | B | -2.0777 | |
| 128 | K | B | -2.6530 | |
| 129 | S | B | -1.6860 | |
| 130 | G | B | -1.1990 | |
| 131 | T | B | -0.9892 | |
| 132 | A | B | 0.0000 | |
| 133 | S | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | V | B | 0.0000 | |
| 136 | C | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | N | B | -0.3910 | |
| 140 | N | B | -0.8835 | |
| 141 | F | B | 0.0000 | |
| 142 | Y | B | 0.0000 | |
| 143 | P | B | -1.6437 | |
| 144 | R | B | -2.6998 | |
| 145 | E | B | -3.0857 | |
| 146 | A | B | -2.2293 | |
| 147 | K | B | -2.1451 | |
| 148 | V | B | -1.2943 | |
| 149 | Q | B | -0.7136 | |
| 150 | W | B | 0.0000 | |
| 151 | K | B | -0.5837 | |
| 152 | V | B | 0.0000 | |
| 153 | D | B | -1.7829 | |
| 154 | N | B | -1.3177 | |
| 155 | A | B | -0.2661 | |
| 156 | L | B | 0.6643 | |
| 157 | Q | B | -0.3513 | |
| 158 | S | B | -0.6439 | |
| 159 | G | B | -1.3774 | |
| 160 | N | B | -1.7178 | |
| 161 | S | B | -1.8384 | |
| 162 | Q | B | -2.2423 | |
| 163 | E | B | -2.2883 | |
| 164 | S | B | -1.1784 | |
| 165 | V | B | -0.9091 | |
| 166 | T | B | -1.2262 | |
| 167 | E | B | -2.2300 | |
| 168 | Q | B | -1.8499 | |
| 169 | D | B | -1.8395 | |
| 170 | S | B | -1.6356 | |
| 171 | K | B | -2.2033 | |
| 172 | D | B | -1.6107 | |
| 173 | S | B | -1.6199 | |
| 174 | T | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | T | B | -1.0192 | |
| 181 | L | B | 0.0000 | |
| 182 | T | B | -0.7829 | |
| 183 | L | B | -0.9016 | |
| 184 | S | B | -1.1321 | |
| 185 | K | B | -2.0574 | |
| 186 | A | B | -1.9625 | |
| 187 | D | B | -2.9072 | |
| 188 | Y | B | 0.0000 | |
| 189 | E | B | -3.4185 | |
| 190 | K | B | -3.6158 | |
| 191 | H | B | -2.9271 | |
| 192 | K | B | -3.0261 | |
| 193 | V | B | -1.3485 | |
| 194 | Y | B | 0.0000 | |
| 195 | A | B | -0.7314 | |
| 196 | C | B | 0.0000 | |
| 197 | E | B | -1.0965 | |
| 198 | V | B | 0.0000 | |
| 199 | T | B | -1.2154 | |
| 200 | H | B | 0.0000 | |
| 201 | Q | B | -1.6919 | |
| 202 | G | B | -0.4130 | |
| 203 | L | B | -0.1975 | |
| 204 | S | B | -0.4373 | |
| 205 | S | B | -0.4131 | |
| 206 | P | B | -0.5834 | |
| 207 | V | B | -0.1341 | |
| 208 | T | B | -0.6231 | |
| 209 | K | B | -0.8229 | |
| 210 | S | B | -0.6692 | |
| 211 | F | B | -1.0412 | |
| 212 | N | B | -2.0399 | |
| 213 | R | B | -2.5657 | |
| 214 | G | B | -2.2810 | |
| 215 | E | B | -2.7677 |
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