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 | YE80C,SP54C,FL68C,AL24C,KY43C,RG72C,DM62C,FI29C,AT50C,SN120C,SP35C,LK18C,DC108C,EC89C,QH13C,VR116C,ER1C,SR7C,DA101C,VN5C,CD96C |
Energy difference between WT (input) and mutated protein (by FoldX) | 41.0621 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 (00:06:30) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:04) [INFO] Main: Simulation completed successfully. (00:07:05) |
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 | R | C | -1.9793 | mutated: ER1C |
2 | V | C | -0.8973 | |
3 | Q | C | -1.8291 | |
4 | L | C | 0.0000 | |
5 | N | C | -2.0478 | mutated: VN5C |
6 | E | C | 0.0000 | |
7 | R | C | -2.6452 | mutated: SR7C |
8 | G | C | -1.8569 | |
9 | G | C | -0.5426 | |
10 | G | C | 0.6361 | |
11 | L | C | 1.3948 | |
12 | V | C | -0.2210 | |
13 | H | C | -1.3727 | mutated: QH13C |
14 | P | C | -1.6836 | |
15 | G | C | -1.3682 | |
16 | G | C | -1.0115 | |
17 | S | C | -1.4708 | |
18 | K | C | -1.5948 | mutated: LK18C |
19 | R | C | -2.8036 | |
20 | L | C | 0.0000 | |
21 | S | C | -1.7908 | |
22 | C | C | 0.0000 | |
23 | A | C | -1.3417 | |
24 | L | C | 0.0000 | mutated: AL24C |
25 | S | C | -0.5217 | |
26 | D | C | 0.0000 | |
27 | F | C | 1.5467 | |
28 | T | C | 0.2251 | |
29 | I | C | 0.0000 | mutated: FI29C |
30 | R | C | -2.1491 | |
31 | S | C | -0.9090 | |
32 | Y | C | -0.8647 | |
33 | E | C | -0.8189 | |
34 | M | C | 0.0000 | |
35 | P | C | 0.0000 | mutated: SP35C |
36 | W | C | 0.0000 | |
37 | V | C | 0.0000 | |
38 | R | C | 0.0000 | |
39 | Q | C | 0.4000 | |
40 | A | C | 0.4349 | |
41 | P | C | -0.0733 | |
42 | G | C | 0.0113 | |
43 | Y | C | 0.8533 | mutated: KY43C |
44 | G | C | 0.3356 | |
45 | L | C | 0.9459 | |
46 | E | C | 0.0081 | |
47 | W | C | 0.3595 | |
48 | V | C | 0.0000 | |
49 | S | C | 0.0000 | |
50 | T | C | 0.0000 | mutated: AT50C |
51 | I | C | 0.0000 | |
52 | S | C | -0.6386 | |
53 | G | C | -1.3241 | |
54 | P | C | -1.3692 | mutated: SP54C |
55 | G | C | -1.2311 | |
56 | G | C | -0.7926 | |
57 | S | C | -0.3243 | |
58 | T | C | 0.1815 | |
59 | Y | C | 0.8991 | |
60 | Y | C | 0.3305 | |
61 | A | C | 0.2173 | |
62 | M | C | 0.4709 | mutated: DM62C |
63 | S | C | -0.1154 | |
64 | V | C | 0.0000 | |
65 | K | C | -1.4527 | |
66 | G | C | -1.2456 | |
67 | R | C | 0.0000 | |
68 | L | C | 0.0000 | mutated: FL68C |
69 | T | C | -0.7178 | |
70 | I | C | 0.0000 | |
71 | S | C | -0.9067 | |
72 | G | C | -1.8494 | mutated: RG72C |
73 | D | C | -2.2355 | |
74 | N | C | -2.5491 | |
75 | S | C | -1.9422 | |
76 | K | C | -2.4104 | |
77 | N | C | -1.7666 | |
78 | T | C | -1.7370 | |
79 | L | C | 0.0000 | |
80 | E | C | -1.5588 | mutated: YE80C |
81 | L | C | 0.0000 | |
82 | Q | C | -1.4079 | |
83 | M | C | 0.0000 | |
84 | N | C | -1.4484 | |
85 | S | C | -1.3165 | |
86 | L | C | 0.0000 | |
87 | R | C | -2.0750 | |
88 | A | C | -1.1346 | |
89 | C | C | -0.0346 | mutated: EC89C |
90 | D | C | 0.0000 | |
91 | T | C | 0.2307 | |
92 | A | C | 0.0000 | |
93 | I | C | 0.9998 | |
94 | Y | C | 0.0000 | |
95 | Y | C | 0.3262 | |
96 | D | C | 0.0000 | mutated: CD96C |
97 | A | C | 0.0000 | |
98 | R | C | 0.0000 | |
99 | L | C | 0.0000 | |
100 | R | C | -2.0364 | |
101 | A | C | -1.4132 | mutated: DA101C |
102 | G | C | -1.2317 | |
103 | F | C | -0.8512 | |
104 | N | C | -2.1156 | |
105 | K | C | -2.5883 | |
106 | G | C | -1.3956 | |
107 | F | C | -0.2749 | |
108 | C | C | -0.1075 | mutated: DC108C |
109 | Y | C | 0.0665 | |
110 | W | C | 0.3306 | |
111 | G | C | -0.8324 | |
112 | Q | C | -1.6346 | |
113 | G | C | -0.5520 | |
114 | T | C | -0.1299 | |
115 | L | C | 1.5596 | |
116 | R | C | 0.0000 | mutated: VR116C |
117 | T | C | 0.5186 | |
118 | V | C | 0.0000 | |
119 | S | C | -1.0093 | |
120 | N | C | -1.7913 | mutated: SN120C |