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 | AH92C,LI20C,MV83C,GS53C,FS27C,AR50C,DT73C,NW77C,AV61C,DL108C,VA5C,SP119C,SK35C,TK114C,GN10C,DC101C,GE15C,PQ41C |
Energy difference between WT (input) and mutated protein (by FoldX) | 43.6339 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 (00:00:25) [INFO] FoldX: Starting FoldX energy minimalization (00:04:46) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:17) [INFO] Main: Simulation completed successfully. (00:05:18) |
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 | -1.8886 | |
2 | V | C | -1.1040 | |
3 | Q | C | -1.5377 | |
4 | L | C | 0.0000 | |
5 | A | C | -0.5923 | mutated: VA5C |
6 | E | C | 0.0000 | |
7 | S | C | -0.7976 | |
8 | G | C | -1.0234 | |
9 | G | C | -0.5092 | |
10 | N | C | -0.2100 | mutated: GN10C |
11 | L | C | 0.9398 | |
12 | V | C | -0.4699 | |
13 | Q | C | -1.6048 | |
14 | P | C | -2.0272 | |
15 | E | C | -2.7075 | mutated: GE15C |
16 | G | C | -1.6006 | |
17 | S | C | -1.5232 | |
18 | L | C | -1.0761 | |
19 | R | C | -2.1244 | |
20 | I | C | 0.0000 | mutated: LI20C |
21 | S | C | -0.7502 | |
22 | C | C | 0.0000 | |
23 | A | C | -0.3556 | |
24 | A | C | 0.0000 | |
25 | S | C | -0.7191 | |
26 | D | C | 0.0000 | |
27 | S | C | -0.4886 | mutated: FS27C |
28 | T | C | -0.6692 | |
29 | F | C | 0.0000 | |
30 | R | C | -2.0181 | |
31 | S | C | -1.0661 | |
32 | Y | C | -0.6533 | |
33 | E | C | -0.6549 | |
34 | M | C | 0.0000 | |
35 | K | C | 0.0000 | mutated: SK35C |
36 | W | C | 0.0000 | |
37 | V | C | 0.0000 | |
38 | R | C | 0.0000 | |
39 | Q | C | -0.3967 | |
40 | A | C | -1.3896 | |
41 | Q | C | -2.2367 | mutated: PQ41C |
42 | G | C | -1.8992 | |
43 | K | C | -2.3774 | |
44 | G | C | -1.1266 | |
45 | L | C | 0.6308 | |
46 | E | C | 0.2265 | |
47 | W | C | 0.9043 | |
48 | V | C | 0.0000 | |
49 | S | C | 0.0000 | |
50 | R | C | 0.0684 | mutated: AR50C |
51 | I | C | 0.0000 | |
52 | S | C | -0.6222 | |
53 | S | C | -1.0659 | mutated: GS53C |
54 | S | C | -1.0695 | |
55 | G | C | -0.9646 | |
56 | G | C | -0.7119 | |
57 | S | C | -0.3701 | |
58 | T | C | -0.0294 | |
59 | Y | C | 0.1306 | |
60 | Y | C | -0.5461 | |
61 | V | C | 0.0000 | mutated: AV61C |
62 | D | C | -2.3907 | |
63 | S | C | -1.7185 | |
64 | V | C | 0.0000 | |
65 | K | C | -2.4411 | |
66 | G | C | -1.6155 | |
67 | R | C | 0.0000 | |
68 | F | C | 0.0000 | |
69 | T | C | -0.7640 | |
70 | I | C | 0.0000 | |
71 | S | C | -0.4860 | |
72 | R | C | -0.9028 | |
73 | T | C | -1.0647 | mutated: DT73C |
74 | N | C | -1.4930 | |
75 | S | C | -1.3048 | |
76 | K | C | -1.6916 | |
77 | W | C | -0.9184 | mutated: NW77C |
78 | T | C | 0.0000 | |
79 | L | C | 0.0000 | |
80 | Y | C | 0.0000 | |
81 | L | C | 0.0000 | |
82 | Q | C | -1.2704 | |
83 | V | C | 0.0000 | mutated: MV83C |
84 | N | C | -1.6021 | |
85 | S | C | -1.7786 | |
86 | L | C | 0.0000 | |
87 | R | C | -2.7390 | |
88 | A | C | -2.0053 | |
89 | E | C | -2.4467 | |
90 | D | C | 0.0000 | |
91 | T | C | -0.7235 | |
92 | H | C | 0.0000 | mutated: AH92C |
93 | I | C | 0.5725 | |
94 | Y | C | 0.0000 | |
95 | Y | C | 0.3859 | |
96 | C | C | 0.0000 | |
97 | A | C | 0.0000 | |
98 | R | C | 0.0000 | |
99 | L | C | 0.0000 | |
100 | R | C | -1.5588 | |
101 | C | C | -0.6719 | mutated: DC101C |
102 | G | C | -0.9268 | |
103 | F | C | -0.9448 | |
104 | N | C | -2.0814 | |
105 | K | C | -2.3955 | |
106 | G | C | -1.2437 | |
107 | F | C | -0.0220 | |
108 | L | C | 0.5073 | mutated: DL108C |
109 | Y | C | 0.3627 | |
110 | W | C | 0.6594 | |
111 | G | C | -0.5135 | |
112 | Q | C | -1.2756 | |
113 | G | C | -0.3692 | |
114 | K | C | -0.3808 | mutated: TK114C |
115 | L | C | 1.1248 | |
116 | V | C | 0.0000 | |
117 | T | C | 0.0609 | |
118 | V | C | 0.0000 | |
119 | P | C | -0.7045 | mutated: SP119C |
120 | S | C | -1.0139 |