Chain sequence(s) |
A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | FI57A,TN70A |
Energy difference between WT (input) and mutated protein (by FoldX) | 7.25976 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 A 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 (00:00:32) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:55) [INFO] Main: Simulation completed successfully. (00:00:56) |
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 | K | A | -2.4735 | |
2 | V | A | -0.2995 | |
3 | F | A | 0.0000 | |
4 | E | A | -2.1353 | |
5 | R | A | -1.8508 | |
6 | C | A | -1.5052 | |
7 | E | A | -1.8595 | |
8 | L | A | 0.0000 | |
9 | A | A | 0.0000 | |
10 | R | A | -2.2254 | |
11 | T | A | -1.6908 | |
12 | L | A | 0.0000 | |
13 | K | A | -2.3935 | |
14 | R | A | -2.5707 | |
15 | L | A | -1.2856 | |
16 | G | A | -1.4544 | |
17 | M | A | 0.0000 | |
18 | D | A | -2.2105 | |
19 | G | A | -1.7756 | |
20 | Y | A | -1.7429 | |
21 | R | A | -2.6559 | |
22 | G | A | -1.6572 | |
23 | I | A | 0.0000 | |
24 | S | A | -1.2968 | |
25 | L | A | 0.0000 | |
26 | A | A | -1.2095 | |
27 | N | A | -1.1581 | |
28 | W | A | 0.0000 | |
29 | M | A | 0.0000 | |
30 | C | A | 0.0000 | |
31 | L | A | 0.0000 | |
32 | A | A | 0.0000 | |
33 | K | A | -1.0265 | |
34 | W | A | -0.5185 | |
35 | E | A | -0.2325 | |
36 | S | A | -0.7206 | |
37 | G | A | -0.5965 | |
38 | Y | A | 0.0000 | |
39 | N | A | -1.3310 | |
40 | T | A | 0.0000 | |
41 | R | A | -2.5327 | |
42 | A | A | -1.3737 | |
43 | T | A | -1.0140 | |
44 | N | A | -0.8721 | |
45 | Y | A | -0.2513 | |
46 | N | A | -1.3075 | |
47 | A | A | -1.2577 | |
48 | G | A | -1.6784 | |
49 | D | A | -2.6845 | |
50 | R | A | -2.8765 | |
51 | S | A | 0.0000 | |
52 | T | A | 0.0000 | |
53 | D | A | -0.6714 | |
54 | Y | A | 0.0000 | |
55 | G | A | 0.0000 | |
56 | I | A | 0.0000 | |
57 | I | A | 0.0000 | mutated: FI57A |
58 | Q | A | 0.0000 | |
59 | I | A | 0.0000 | |
60 | N | A | -0.4631 | |
61 | S | A | 0.0000 | |
62 | R | A | -0.6336 | |
63 | Y | A | 1.1063 | |
64 | W | A | 0.2361 | |
65 | C | A | 0.0000 | |
66 | N | A | -1.0729 | |
67 | D | A | -1.4467 | |
68 | G | A | -1.5763 | |
69 | K | A | -2.1590 | |
70 | N | A | 0.0000 | mutated: TN70A |
71 | P | A | -1.3197 | |
72 | G | A | -0.2656 | |
73 | A | A | 0.1156 | |
74 | V | A | 1.5200 | |
75 | N | A | 0.1647 | |
76 | A | A | 0.1912 | |
77 | C | A | -0.4348 | |
78 | H | A | -0.8034 | |
79 | L | A | -0.7282 | |
80 | S | A | -0.8141 | |
81 | C | A | 0.0000 | |
82 | S | A | -0.7213 | |
83 | A | A | -1.0249 | |
84 | L | A | 0.0000 | |
85 | L | A | -2.0273 | |
86 | Q | A | -3.1352 | |
87 | D | A | -3.5417 | |
88 | N | A | -2.8960 | |
89 | I | A | 0.0000 | |
90 | A | A | -1.0979 | |
91 | D | A | -1.3483 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.0000 | |
94 | A | A | -0.5634 | |
95 | C | A | 0.0000 | |
96 | A | A | 0.0000 | |
97 | K | A | -1.6227 | |
98 | R | A | -1.7311 | |
99 | V | A | 0.0000 | |
100 | V | A | 0.0000 | |
101 | R | A | -3.0436 | |
102 | D | A | -2.2090 | |
103 | P | A | -1.4682 | |
104 | Q | A | -1.6381 | |
105 | G | A | -2.0808 | |
106 | I | A | 0.0000 | |
107 | R | A | -1.8886 | |
108 | A | A | -0.7225 | |
109 | W | A | 0.0000 | |
110 | V | A | 0.3432 | |
111 | A | A | -0.7116 | |
112 | W | A | -1.5953 | |
113 | R | A | -2.8574 | |
114 | N | A | -2.8156 | |
115 | R | A | -3.1158 | |
116 | C | A | 0.0000 | |
117 | Q | A | -3.2078 | |
118 | N | A | -3.3692 | |
119 | R | A | -4.2933 | |
120 | D | A | -3.8961 | |
121 | V | A | -3.0641 | |
122 | R | A | -3.3790 | |
123 | Q | A | -2.7812 | |
124 | Y | A | 0.0000 | |
125 | V | A | -1.4454 | |
126 | Q | A | -2.1301 | |
127 | G | A | -1.1576 | |
128 | C | A | 0.0000 | |
129 | G | A | -0.4735 | |
130 | V | A | -0.1728 |