Chain sequence(s) |
A: MQTILQDYANVVDGSFFRHWKLFSGMEAKNLQRLYNGLVERECEDGQEYSLLDQRSKAHIDSIALSIYKHVTSHEFSLPSWVGLASDMLTGGTLRVVAGGLQVKTINNPHG
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | VA97A,IA4A |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.53016 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] FoldX: Building mutant model (00:01:02) [INFO] FoldX: Starting FoldX energy minimalization (00:01:10) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:48) [INFO] Main: Simulation completed successfully. (00:01:49) |
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 | M | A | 0.3916 | |
2 | Q | A | -0.8995 | |
3 | T | A | -0.9672 | |
4 | A | A | -0.3144 | mutated: IA4A |
5 | L | A | 0.0297 | |
6 | Q | A | -1.8629 | |
7 | D | A | -1.9958 | |
8 | Y | A | -0.4229 | |
9 | A | A | -1.1353 | |
10 | N | A | -1.6871 | |
11 | V | A | 0.3958 | |
12 | V | A | -0.2404 | |
13 | D | A | -1.7673 | |
14 | G | A | -0.8732 | |
15 | S | A | -0.4797 | |
16 | F | A | 0.1330 | |
17 | F | A | 0.4201 | |
18 | R | A | -1.6357 | |
19 | H | A | -0.9567 | |
20 | W | A | -0.1396 | |
21 | K | A | -1.1801 | |
22 | L | A | 0.4164 | |
23 | F | A | -0.1061 | |
24 | S | A | -0.6437 | |
25 | G | A | -0.6655 | |
26 | M | A | -0.9870 | |
27 | E | A | -2.4806 | |
28 | A | A | -1.8046 | |
29 | K | A | -2.9364 | |
30 | N | A | -2.3957 | |
31 | L | A | -1.5439 | |
32 | Q | A | -1.8917 | |
33 | R | A | -2.4422 | |
34 | L | A | -0.9799 | |
35 | Y | A | 0.0000 | |
36 | N | A | -1.2172 | |
37 | G | A | -1.4400 | |
38 | L | A | -0.6297 | |
39 | V | A | -1.0276 | |
40 | E | A | -2.5849 | |
41 | R | A | -3.3169 | |
42 | E | A | -2.6285 | |
43 | C | A | -2.6102 | |
44 | E | A | -4.0712 | |
45 | D | A | -4.0701 | |
46 | G | A | -3.1278 | |
47 | Q | A | -2.7874 | |
48 | E | A | -2.4426 | |
49 | Y | A | -0.3665 | |
50 | S | A | -0.1110 | |
51 | L | A | 0.3902 | |
52 | L | A | -0.5328 | |
53 | D | A | -1.6222 | |
54 | Q | A | -2.4890 | |
55 | R | A | -2.8425 | |
56 | S | A | -1.4904 | |
57 | K | A | -1.7730 | |
58 | A | A | -1.5522 | |
59 | H | A | -1.2702 | |
60 | I | A | -0.3217 | |
61 | D | A | -0.3499 | |
62 | S | A | -0.1903 | |
63 | I | A | 0.0501 | |
64 | A | A | 0.0000 | |
65 | L | A | 0.0775 | |
66 | S | A | -0.4285 | |
67 | I | A | 0.0000 | |
68 | Y | A | -0.3399 | |
69 | K | A | -1.8929 | |
70 | H | A | -1.7464 | |
71 | V | A | -0.7027 | |
72 | T | A | -1.0374 | |
73 | S | A | -1.5639 | |
74 | H | A | -1.8606 | |
75 | E | A | -1.7320 | |
76 | F | A | 0.1106 | |
77 | S | A | -0.0827 | |
78 | L | A | 0.4353 | |
79 | P | A | 0.0613 | |
80 | S | A | -0.0534 | |
81 | W | A | 0.4519 | |
82 | V | A | 0.5241 | |
83 | G | A | -0.2818 | |
84 | L | A | -0.1958 | |
85 | A | A | 0.0000 | |
86 | S | A | -0.0917 | |
87 | D | A | -1.0519 | |
88 | M | A | 0.0000 | |
89 | L | A | 0.3599 | |
90 | T | A | -0.3357 | |
91 | G | A | -1.0461 | |
92 | G | A | -1.0933 | |
93 | T | A | -1.2317 | |
94 | L | A | -1.2392 | |
95 | R | A | -2.0752 | |
96 | V | A | 0.0000 | |
97 | A | A | -0.7975 | mutated: VA97A |
98 | A | A | -0.8818 | |
99 | G | A | -0.4742 | |
100 | G | A | -0.3689 | |
101 | L | A | -0.0358 | |
102 | Q | A | -1.4831 | |
103 | V | A | -1.1840 | |
104 | K | A | -1.9521 | |
105 | T | A | -1.3901 | |
106 | I | A | -0.4978 | |
107 | N | A | -1.7259 | |
108 | N | A | -1.7441 | |
109 | P | A | -1.4523 | |
110 | H | A | -1.8370 | |
111 | G | A | -1.4218 |