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 | IM93C,VY118C,WG36C,FE27C,GL113C,TC28C,SP85C,NV74C,SF52C,KH105C,QC13C,VE2C,GA10C,VT64C,RN30C,LG4C |
Energy difference between WT (input) and mutated protein (by FoldX) | 45.1484 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 (00:02:28) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:52) [INFO] Main: Simulation completed successfully. (00:02:52) |
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 | -2.1949 | |
2 | E | C | -1.8240 | mutated: VE2C |
3 | Q | C | -1.3227 | |
4 | G | C | 0.0903 | mutated: LG4C |
5 | V | C | 1.1558 | |
6 | E | C | 0.5605 | |
7 | S | C | -0.2003 | |
8 | G | C | -0.7290 | |
9 | G | C | 0.2133 | |
10 | A | C | 1.1795 | mutated: GA10C |
11 | L | C | 1.9937 | |
12 | V | C | 0.9669 | |
13 | C | C | 0.5821 | mutated: QC13C |
14 | P | C | -0.5675 | |
15 | G | C | -0.9217 | |
16 | G | C | -0.3383 | |
17 | S | C | -0.9071 | |
18 | L | C | -0.8743 | |
19 | R | C | -2.1167 | |
20 | L | C | 0.0000 | |
21 | S | C | -0.4562 | |
22 | C | C | 0.0000 | |
23 | A | C | -0.0174 | |
24 | A | C | 0.0000 | |
25 | S | C | -1.0775 | |
26 | D | C | 0.0000 | |
27 | E | C | -1.9772 | mutated: FE27C |
28 | C | C | -0.8636 | mutated: TC28C |
29 | F | C | 0.0000 | |
30 | N | C | -1.1848 | mutated: RN30C |
31 | S | C | -0.5136 | |
32 | Y | C | -0.5998 | |
33 | E | C | -0.3675 | |
34 | M | C | 0.0000 | |
35 | S | C | 0.0000 | |
36 | G | C | 0.1305 | mutated: WG36C |
37 | V | C | 0.0000 | |
38 | R | C | 0.0000 | |
39 | Q | C | -0.3723 | |
40 | A | C | -1.0679 | |
41 | P | C | -1.3344 | |
42 | G | C | -1.4376 | |
43 | K | C | -2.1504 | |
44 | G | C | -1.1067 | |
45 | L | C | 0.2373 | |
46 | E | C | -0.4627 | |
47 | W | C | 0.2927 | |
48 | V | C | 0.0000 | |
49 | S | C | 0.0000 | |
50 | A | C | 0.0000 | |
51 | I | C | 0.0000 | |
52 | F | C | 0.9897 | mutated: SF52C |
53 | G | C | 0.0027 | |
54 | S | C | -0.3353 | |
55 | G | C | -0.2895 | |
56 | G | C | -0.3427 | |
57 | S | C | 0.2116 | |
58 | T | C | 0.5741 | |
59 | Y | C | 0.8018 | |
60 | Y | C | -0.3498 | |
61 | A | C | -1.1367 | |
62 | D | C | -2.3422 | |
63 | S | C | -1.7166 | |
64 | T | C | 0.0000 | mutated: VT64C |
65 | K | C | -2.3815 | |
66 | G | C | -1.6020 | |
67 | R | C | 0.0000 | |
68 | F | C | 0.0000 | |
69 | T | C | -0.6519 | |
70 | I | C | 0.0000 | |
71 | S | C | -0.2609 | |
72 | R | C | -0.7323 | |
73 | D | C | -1.2298 | |
74 | V | C | -0.5698 | mutated: NV74C |
75 | S | C | -1.0419 | |
76 | K | C | -1.8766 | |
77 | N | C | -1.5102 | |
78 | T | C | 0.0000 | |
79 | L | C | 0.0000 | |
80 | Y | C | -0.6813 | |
81 | L | C | 0.0000 | |
82 | Q | C | -1.2081 | |
83 | M | C | 0.0000 | |
84 | N | C | -1.2118 | |
85 | P | C | -0.9700 | mutated: SP85C |
86 | L | C | 0.0000 | |
87 | R | C | -2.1741 | |
88 | A | C | -1.6224 | |
89 | E | C | -2.3541 | |
90 | D | C | 0.0000 | |
91 | T | C | -0.4701 | |
92 | A | C | 0.0000 | |
93 | M | C | 0.8710 | mutated: IM93C |
94 | Y | C | 0.0000 | |
95 | Y | C | 0.7431 | |
96 | C | C | 0.0000 | |
97 | A | C | 0.0000 | |
98 | R | C | 0.0000 | |
99 | L | C | 0.0000 | |
100 | R | C | -3.0230 | |
101 | D | C | -3.1482 | |
102 | G | C | -1.7358 | |
103 | F | C | -0.9190 | |
104 | N | C | -2.1440 | |
105 | H | C | -2.5076 | mutated: KH105C |
106 | G | C | -1.5908 | |
107 | F | C | -0.8376 | |
108 | D | C | -1.0785 | |
109 | Y | C | -0.3073 | |
110 | W | C | 0.6114 | |
111 | G | C | 0.1489 | |
112 | Q | C | -0.6108 | |
113 | L | C | 0.4905 | mutated: GL113C |
114 | T | C | 0.7823 | |
115 | L | C | 1.7950 | |
116 | V | C | 0.0000 | |
117 | T | C | 0.6375 | |
118 | Y | C | 0.0000 | mutated: VY118C |
119 | S | C | -0.2138 | |
120 | S | C | -0.7113 |