Chain sequence(s) |
A: DVVMTQTPLSLSVTPGEPASISCRSTQSLLDGVNPSFDWYVQKPGQSPQLLIHRGFYRASGVPDRFSGSGSGTDFTLRISRVEAEDVGVYYCMQRIEFPLTFGGGTKVEIK
B: DVVMTQTPLSLSVTPGEPASISCRSTQDSDGVNPSFDWYVQKPGQSPQLLIHRGFYRASGVPDRFSGSGSGTDFTLRISRVEAEDVGVYYCMQRIEFPLTFGGGTKVEIK input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 5 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | VH3A,VQ2A |
Energy difference between WT (input) and mutated protein (by FoldX) | 2.45111 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 all 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 (00:01:13) [INFO] FoldX: Starting FoldX energy minimalization (00:01:23) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:31) [INFO] Main: Simulation completed successfully. (00:02:33) |
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 | D | A | -1.8244 | |
2 | Q | A | -0.7110 | mutated: VQ2A |
3 | H | A | -1.0257 | mutated: VH3A |
4 | M | A | 0.0000 | |
5 | T | A | -0.0535 | |
6 | Q | A | 0.0000 | |
7 | T | A | -0.0578 | |
8 | P | A | 0.1911 | |
9 | L | A | 1.4929 | |
10 | S | A | 0.0006 | |
11 | L | A | 0.1773 | |
12 | S | A | -0.1412 | |
13 | V | A | 0.0000 | |
14 | T | A | -0.0924 | |
15 | P | A | -0.2652 | |
16 | G | A | -0.7857 | |
17 | E | A | -2.0811 | |
18 | P | A | -0.8434 | |
19 | A | A | 0.0000 | |
20 | S | A | -0.3251 | |
21 | I | A | 0.0000 | |
22 | S | A | -0.0434 | |
23 | C | A | 0.0000 | |
24 | R | A | -1.9220 | |
25 | S | A | 0.0000 | |
26 | T | A | -0.0943 | |
27 | Q | A | -0.2005 | |
27A | S | A | 0.0486 | |
27B | L | A | 1.7931 | |
27C | L | A | 1.5041 | |
27D | D | A | -1.5055 | |
28 | G | A | -0.0259 | |
29 | V | A | 0.0935 | |
30 | N | A | -1.2167 | |
31 | P | A | -0.2496 | |
32 | S | A | -0.0287 | |
33 | F | A | 0.0000 | |
34 | D | A | 0.0000 | |
35 | W | A | 0.0000 | |
36 | Y | A | 0.2695 | |
37 | V | A | 0.0000 | |
38 | Q | A | -0.5533 | |
39 | K | A | -0.5332 | |
40 | P | A | -0.4151 | |
41 | G | A | -0.7367 | |
42 | Q | A | -1.3256 | |
43 | S | A | -0.4799 | |
44 | P | A | -0.4608 | |
45 | Q | A | -0.7509 | |
46 | L | A | 0.2836 | |
47 | L | A | 0.0000 | |
48 | I | A | 0.0000 | |
49 | H | A | -0.7267 | |
50 | R | A | -1.4922 | |
51 | G | A | 0.0000 | |
52 | F | A | 2.1637 | |
53 | Y | A | 1.4434 | |
54 | R | A | -0.9790 | |
55 | A | A | -0.2577 | |
56 | S | A | -0.2973 | |
57 | G | A | -0.5056 | |
58 | V | A | 0.0000 | |
59 | P | A | -0.4496 | |
60 | D | A | -1.8752 | |
61 | R | A | -0.6773 | |
62 | F | A | 0.0000 | |
63 | S | A | -0.1867 | |
64 | G | A | 0.1015 | |
65 | S | A | -0.1386 | |
66 | G | A | -0.2781 | |
67 | S | A | -0.3407 | |
68 | G | A | -0.5078 | |
69 | T | A | -0.2059 | |
70 | D | A | -0.8429 | |
71 | F | A | 0.0000 | |
72 | T | A | -0.0135 | |
73 | L | A | 0.0000 | |
74 | R | A | -1.1706 | |
75 | I | A | 0.0000 | |
76 | S | A | -0.5843 | |
77 | R | A | -2.1281 | |
78 | V | A | 0.0000 | |
79 | E | A | -0.9288 | |
80 | A | A | -0.4585 | |
81 | E | A | -1.8097 | |
82 | D | A | 0.0000 | |
83 | V | A | 0.6189 | |
84 | G | A | 0.0000 | |
85 | V | A | 0.2399 | |
86 | Y | A | 0.0000 | |
87 | Y | A | 0.2671 | |
88 | C | A | 0.0000 | |
89 | M | A | 0.0000 | |
90 | Q | A | 0.0000 | |
91 | R | A | -0.9492 | |
92 | I | A | -0.3264 | |
93 | E | A | -1.7358 | |
94 | F | A | -0.1473 | |
95 | P | A | -0.0289 | |
96 | L | A | 0.9245 | |
97 | T | A | 0.4332 | |
98 | F | A | 1.4099 | |
99 | G | A | 0.1336 | |
100 | G | A | -0.4852 | |
101 | G | A | -0.1139 | |
102 | T | A | 0.0000 | |
103 | K | A | -0.9371 | |
104 | V | A | 0.0000 | |
105 | E | A | -1.4759 | |
106 | I | A | -0.1755 | |
107 | K | A | -1.6224 | |
1 | D | B | -1.7894 | |
2 | V | B | 0.0000 | |
3 | V | B | 1.7728 | |
4 | M | B | 0.0000 | |
5 | T | B | -0.0676 | |
6 | Q | B | 0.0000 | |
7 | T | B | -0.0880 | |
8 | P | B | 0.1962 | |
9 | L | B | 1.4945 | |
10 | S | B | 0.0014 | |
11 | L | B | 0.1866 | |
12 | S | B | -0.3197 | |
13 | V | B | 0.0000 | |
14 | T | B | -0.0998 | |
15 | P | B | -0.2863 | |
16 | G | B | -0.6231 | |
17 | E | B | -1.2663 | |
18 | P | B | -0.6819 | |
19 | A | B | 0.0000 | |
20 | S | B | -0.4458 | |
21 | I | B | 0.0000 | |
22 | S | B | -0.0727 | |
23 | C | B | 0.0000 | |
24 | R | B | -1.6342 | |
25 | S | B | 0.0000 | |
26 | T | B | -0.1547 | |
27 | Q | B | -0.5811 | |
27D | D | B | -1.8280 | |
27E | S | B | -0.8609 | |
27F | D | B | -1.9137 | |
28 | G | B | -0.7390 | |
29 | V | B | -0.0091 | |
30 | N | B | -1.2219 | |
31 | P | B | -0.2671 | |
32 | S | B | -0.0272 | |
33 | F | B | 0.0000 | |
34 | D | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.2828 | |
37 | V | B | 0.0000 | |
38 | Q | B | -0.6078 | |
39 | K | B | -0.6864 | |
40 | P | B | -0.4426 | |
41 | G | B | -0.7334 | |
42 | Q | B | -1.3229 | |
43 | S | B | -0.4716 | |
44 | P | B | -0.5186 | |
45 | Q | B | -1.0169 | |
46 | L | B | 0.2860 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | H | B | -0.5365 | |
50 | R | B | -1.4717 | |
51 | G | B | 0.0000 | |
52 | F | B | 1.9303 | |
53 | Y | B | 1.4040 | |
54 | R | B | -0.9500 | |
55 | A | B | -0.2537 | |
56 | S | B | -0.2979 | |
57 | G | B | -0.5059 | |
58 | V | B | 0.0000 | |
59 | P | B | -0.4661 | |
60 | D | B | -1.8702 | |
61 | R | B | -0.6353 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.1502 | |
64 | G | B | 0.0696 | |
65 | S | B | -0.2192 | |
66 | G | B | -0.3185 | |
67 | S | B | -0.3466 | |
68 | G | B | -0.5096 | |
69 | T | B | -0.3551 | |
70 | D | B | -1.5618 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.0205 | |
73 | L | B | 0.0000 | |
74 | R | B | -1.8709 | |
75 | I | B | 0.0000 | |
76 | S | B | -0.5816 | |
77 | R | B | -2.0391 | |
78 | V | B | 0.0000 | |
79 | E | B | -1.0532 | |
80 | A | B | -0.4735 | |
81 | E | B | -1.8092 | |
82 | D | B | 0.0000 | |
83 | V | B | 0.3581 | |
84 | G | B | 0.0000 | |
85 | V | B | 0.2064 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.2095 | |
88 | C | B | 0.0000 | |
89 | M | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | R | B | -0.4028 | |
92 | I | B | 0.0000 | |
93 | E | B | -0.6190 | |
94 | F | B | 0.1391 | |
95 | P | B | -0.0438 | |
96 | L | B | 0.7745 | |
97 | T | B | 0.3813 | |
98 | F | B | 1.3248 | |
99 | G | B | 0.0000 | |
100 | G | B | -0.3325 | |
101 | G | B | -0.1667 | |
102 | T | B | 0.0000 | |
103 | K | B | -0.9417 | |
104 | V | B | 0.0000 | |
105 | E | B | -1.3209 | |
106 | I | B | -0.0575 | |
107 | K | B | -1.6040 |