| Chain sequence(s) |
C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
input PDB |
| Selected Chain(s) | C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | KR76C,LM45C,QT82C,WH47C,LS86C,SG25C,TV28C,TD69C,IP93C,TI58C,GD8C,QR3C,TE114C,GC10C,DH101C,EW33C |
| Energy difference between WT (input) and mutated protein (by FoldX) | 18.5079 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] (00:00:00)
[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 C chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] FoldX: Building mutant model (00:00:24)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:49)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:17)
[INFO] Main: Simulation completed successfully. (00:04:18)
|
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 | E | C | -2.1678 | |
| 2 | V | C | -1.2537 | |
| 3 | R | C | -2.1317 | mutated: QR3C |
| 4 | L | C | 0.0000 | |
| 5 | V | C | -0.2025 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.8151 | |
| 8 | D | C | -1.4147 | mutated: GD8C |
| 9 | G | C | 0.0110 | |
| 10 | C | C | 1.5499 | mutated: GC10C |
| 11 | L | C | 1.8848 | |
| 12 | V | C | 0.1348 | |
| 13 | Q | C | -1.3563 | |
| 14 | P | C | -1.5021 | |
| 15 | G | C | -1.4286 | |
| 16 | G | C | -1.0478 | |
| 17 | S | C | -1.2419 | |
| 18 | L | C | 0.0000 | |
| 19 | R | C | -2.1294 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.7755 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.5622 | |
| 24 | A | C | 0.0000 | |
| 25 | G | C | -0.6754 | mutated: SG25C |
| 26 | D | C | 0.0000 | |
| 27 | F | C | 1.7214 | |
| 28 | V | C | 0.7193 | mutated: TV28C |
| 29 | F | C | 0.0000 | |
| 30 | R | C | -1.7453 | |
| 31 | S | C | -0.5570 | |
| 32 | Y | C | -0.5884 | |
| 33 | W | C | -0.1828 | mutated: EW33C |
| 34 | M | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.9197 | |
| 40 | A | C | -1.2744 | |
| 41 | P | C | -1.4043 | |
| 42 | G | C | -1.5027 | |
| 43 | K | C | -2.2803 | |
| 44 | G | C | -1.3577 | |
| 45 | M | C | -0.5004 | mutated: LM45C |
| 46 | E | C | -1.1435 | |
| 47 | H | C | -0.7343 | mutated: WH47C |
| 48 | V | C | 0.0000 | |
| 49 | S | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0337 | |
| 53 | G | C | -0.9036 | |
| 54 | S | C | -1.1157 | |
| 55 | G | C | -0.7037 | |
| 56 | G | C | -0.4496 | |
| 57 | S | C | 0.4607 | |
| 58 | I | C | 1.5579 | mutated: TI58C |
| 59 | Y | C | 1.4300 | |
| 60 | Y | C | -0.1972 | |
| 61 | A | C | -1.2652 | |
| 62 | D | C | -2.3036 | |
| 63 | S | C | -1.7130 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.4855 | |
| 66 | G | C | -1.7930 | |
| 67 | R | C | 0.0000 | |
| 68 | F | C | 0.0000 | |
| 69 | D | C | -1.3489 | mutated: TD69C |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.6409 | |
| 72 | R | C | -1.4346 | |
| 73 | D | C | -2.0499 | |
| 74 | N | C | -2.1809 | |
| 75 | S | C | -1.8579 | |
| 76 | R | C | -2.4592 | mutated: KR76C |
| 77 | N | C | -1.7104 | |
| 78 | T | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | 0.0000 | |
| 81 | L | C | 0.0000 | |
| 82 | T | C | -1.2321 | mutated: QT82C |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.4208 | |
| 85 | S | C | -1.2667 | |
| 86 | S | C | 0.0000 | mutated: LS86C |
| 87 | R | C | -2.4804 | |
| 88 | A | C | -1.8930 | |
| 89 | E | C | -2.3450 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.4642 | |
| 92 | A | C | 0.0000 | |
| 93 | P | C | 0.2922 | mutated: IP93C |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0953 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | R | C | 0.0000 | |
| 99 | L | C | 0.0000 | |
| 100 | R | C | -2.6927 | |
| 101 | H | C | -2.4365 | mutated: DH101C |
| 102 | G | C | -1.6177 | |
| 103 | F | C | -1.0649 | |
| 104 | N | C | -2.3831 | |
| 105 | K | C | -3.0127 | |
| 106 | G | C | -1.8148 | |
| 107 | F | C | -0.8560 | |
| 108 | D | C | -0.9929 | |
| 109 | Y | C | -0.3979 | |
| 110 | W | C | 0.2184 | |
| 111 | G | C | -0.5112 | |
| 112 | Q | C | -1.2874 | |
| 113 | G | C | -0.3925 | |
| 114 | E | C | -0.1652 | mutated: TE114C |
| 115 | L | C | 1.4196 | |
| 116 | V | C | 0.0000 | |
| 117 | T | C | 0.5118 | |
| 118 | V | C | 0.0000 | |
| 119 | S | C | -0.7805 | |
| 120 | S | C | -1.0628 |