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 | IG93C,LA45C,WH47C,YL95C,LY115C,YP59C,GE9C,TS117C,TV114C,LT11C,GK10C,GC113C,ED6C,VR5C,WD110C |
Energy difference between WT (input) and mutated protein (by FoldX) | 33.7761 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 (00:02:02) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:31) [INFO] Main: Simulation completed successfully. (00:02:32) |
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 | -2.0240 | |
2 | V | C | -1.2725 | |
3 | Q | C | -2.3991 | |
4 | L | C | 0.0000 | |
5 | R | C | -2.6618 | mutated: VR5C |
6 | D | C | 0.0000 | mutated: ED6C |
7 | S | C | -1.1443 | |
8 | G | C | -1.1564 | |
9 | E | C | -1.3444 | mutated: GE9C |
10 | K | C | -1.6073 | mutated: GK10C |
11 | T | C | -1.0387 | mutated: LT11C |
12 | V | C | -1.2830 | |
13 | Q | C | -1.7255 | |
14 | P | C | -1.6780 | |
15 | G | C | -1.4188 | |
16 | G | C | -1.1986 | |
17 | S | C | -1.3266 | |
18 | L | C | 0.0000 | |
19 | R | C | -2.2414 | |
20 | L | C | 0.0000 | |
21 | S | C | -0.9613 | |
22 | C | C | 0.0000 | |
23 | A | C | -1.2225 | |
24 | A | C | 0.0000 | |
25 | S | C | -0.6185 | |
26 | D | C | 0.0000 | |
27 | F | C | 1.5423 | |
28 | T | C | 0.2557 | |
29 | F | C | 0.0000 | |
30 | R | C | -2.0140 | |
31 | S | C | -0.8631 | |
32 | Y | C | -1.1748 | |
33 | E | C | -1.0282 | |
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 | -1.4416 | |
40 | A | C | -1.5561 | |
41 | P | C | -1.4616 | |
42 | G | C | -1.6167 | |
43 | K | C | -2.5057 | |
44 | G | C | -1.7894 | |
45 | A | C | -1.3506 | mutated: LA45C |
46 | E | C | -1.5572 | |
47 | H | C | -0.9286 | 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 | -0.6977 | |
53 | G | C | -1.2166 | |
54 | S | C | -1.2238 | |
55 | G | C | -1.0940 | |
56 | G | C | -0.7666 | |
57 | S | C | -0.5980 | |
58 | T | C | -0.3262 | |
59 | P | C | -0.4112 | mutated: YP59C |
60 | Y | C | -0.9388 | |
61 | A | C | -1.5280 | |
62 | D | C | -2.4404 | |
63 | S | C | -1.7035 | |
64 | V | C | 0.0000 | |
65 | K | C | -2.5087 | |
66 | G | C | -1.6087 | |
67 | R | C | 0.0000 | |
68 | F | C | 0.0000 | |
69 | T | C | -0.7799 | |
70 | I | C | 0.0000 | |
71 | S | C | -0.5696 | |
72 | R | C | -1.3595 | |
73 | D | C | -1.9785 | |
74 | N | C | -2.1871 | |
75 | S | C | -1.7905 | |
76 | K | C | -2.3156 | |
77 | N | C | -1.6464 | |
78 | T | C | 0.0000 | |
79 | L | C | 0.0000 | |
80 | Y | C | -0.6336 | |
81 | L | C | 0.0000 | |
82 | Q | C | -1.2815 | |
83 | M | C | 0.0000 | |
84 | N | C | -1.3770 | |
85 | S | C | -1.2552 | |
86 | L | C | 0.0000 | |
87 | R | C | -2.4879 | |
88 | A | C | -1.9143 | |
89 | E | C | -2.3534 | |
90 | D | C | 0.0000 | |
91 | T | C | -1.0102 | |
92 | A | C | 0.0000 | |
93 | G | C | -0.0335 | mutated: IG93C |
94 | Y | C | 0.0000 | |
95 | L | C | -0.6716 | mutated: YL95C |
96 | C | C | 0.0000 | |
97 | A | C | 0.0000 | |
98 | R | C | 0.0000 | |
99 | L | C | 0.0000 | |
100 | R | C | -2.9887 | |
101 | D | C | -3.2274 | |
102 | G | C | -1.9775 | |
103 | F | C | -1.1951 | |
104 | N | C | -2.3198 | |
105 | K | C | -3.0530 | |
106 | G | C | -1.6421 | |
107 | F | C | -0.9356 | |
108 | D | C | -1.4115 | |
109 | Y | C | -1.2751 | |
110 | D | C | -2.1874 | mutated: WD110C |
111 | G | C | 0.0000 | |
112 | Q | C | -2.1287 | |
113 | C | C | -0.8029 | mutated: GC113C |
114 | V | C | 0.0000 | mutated: TV114C |
115 | Y | C | 0.6097 | mutated: LY115C |
116 | V | C | 0.0000 | |
117 | S | C | -0.9004 | mutated: TS117C |
118 | V | C | 0.0000 | |
119 | S | C | -1.1465 | |
120 | S | C | -1.0954 |