Chain sequence(s) |
B: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
input PDB |
Selected Chain(s) | B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
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 B 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] Analysis: Starting Aggrescan3D on folded.pdb (00:01:49) [INFO] Main: Simulation completed successfully. (00:01:50) |
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 | V | B | -0.5860 | |
2 | H | B | -1.1117 | |
3 | L | B | 0.0000 | |
4 | T | B | -1.4691 | |
5 | P | B | -2.0054 | |
6 | E | B | -2.7643 | |
7 | E | B | -2.5592 | |
8 | K | B | -2.5230 | |
9 | S | B | -1.7648 | |
10 | A | B | -1.3043 | |
11 | V | B | 0.0000 | |
12 | T | B | -0.9954 | |
13 | A | B | -0.8960 | |
14 | L | B | 0.0000 | |
15 | W | B | -0.5627 | |
16 | G | B | -1.1600 | |
17 | K | B | -1.8368 | |
18 | V | B | -1.2810 | |
19 | N | B | -1.7465 | |
20 | V | B | -0.7294 | |
21 | D | B | -2.5506 | |
22 | E | B | -2.3583 | |
23 | V | B | 0.0000 | |
24 | G | B | 0.0000 | |
25 | G | B | 0.0000 | |
26 | E | B | -1.6284 | |
27 | A | B | 0.0000 | |
28 | L | B | 0.0000 | |
29 | G | B | 0.0000 | |
30 | R | B | -0.5636 | |
31 | L | B | 0.0000 | |
32 | L | B | 0.0000 | |
33 | V | B | 0.5008 | |
34 | V | B | 1.1416 | |
35 | Y | B | 0.8327 | |
36 | P | B | 0.1033 | |
37 | W | B | 0.2719 | |
38 | T | B | 0.0000 | |
39 | Q | B | -1.0034 | |
40 | R | B | -1.8819 | |
41 | F | B | -0.3323 | |
42 | F | B | -1.0592 | |
43 | E | B | -2.4177 | |
44 | S | B | -1.5134 | |
45 | F | B | -1.3130 | |
46 | G | B | -1.9152 | |
47 | D | B | -2.5345 | |
48 | L | B | 0.0000 | |
49 | S | B | -1.1612 | |
50 | T | B | -1.0847 | |
51 | P | B | -1.0456 | |
52 | D | B | -2.0824 | |
53 | A | B | -1.6102 | |
54 | V | B | 0.0000 | |
55 | M | B | -1.0200 | |
56 | G | B | -1.4501 | |
57 | N | B | 0.0000 | |
58 | P | B | -1.3188 | |
59 | K | B | -2.0553 | |
60 | V | B | 0.0000 | |
61 | K | B | -2.7275 | |
62 | A | B | -2.2686 | |
63 | H | B | -1.9669 | |
64 | G | B | 0.0000 | |
65 | K | B | -2.6274 | |
66 | K | B | -2.2603 | |
67 | V | B | -0.9870 | |
68 | L | B | 0.0000 | |
69 | G | B | -1.1956 | |
70 | A | B | -1.0028 | |
71 | F | B | 0.0000 | |
72 | S | B | -0.9214 | |
73 | D | B | -1.9898 | |
74 | G | B | 0.0000 | |
75 | L | B | 0.0000 | |
76 | A | B | -1.3044 | |
77 | H | B | -2.2061 | |
78 | L | B | -1.8953 | |
79 | D | B | -2.7084 | |
80 | N | B | -2.8182 | |
81 | L | B | 0.0000 | |
82 | K | B | -2.7470 | |
83 | G | B | -1.8190 | |
84 | T | B | -1.4700 | |
85 | F | B | 0.0000 | |
86 | A | B | -0.9430 | |
87 | T | B | -0.5090 | |
88 | L | B | -0.2693 | |
89 | S | B | 0.0000 | |
90 | E | B | -2.5588 | |
91 | L | B | -1.3937 | |
92 | H | B | -1.4969 | |
93 | C | B | 0.0000 | |
94 | D | B | -3.1081 | |
95 | K | B | -2.5226 | |
96 | L | B | -0.9132 | |
97 | H | B | -1.9920 | |
98 | V | B | -1.5413 | |
99 | D | B | -2.5173 | |
100 | P | B | -2.0954 | |
101 | E | B | -2.6212 | |
102 | N | B | -1.5232 | |
103 | F | B | -1.1634 | |
104 | R | B | -1.6005 | |
105 | L | B | -0.5484 | |
106 | L | B | -0.3268 | |
107 | G | B | -0.4437 | |
108 | N | B | -0.7607 | |
109 | V | B | 0.0000 | |
110 | L | B | 0.0000 | |
111 | V | B | 0.0000 | |
112 | C | B | -0.1417 | |
113 | V | B | 0.0000 | |
114 | L | B | 0.0000 | |
115 | A | B | -1.1914 | |
116 | H | B | -1.5749 | |
117 | H | B | -1.5701 | |
118 | F | B | -1.7863 | |
119 | G | B | -2.2082 | |
120 | K | B | -2.9767 | |
121 | E | B | -2.8788 | |
122 | F | B | 0.0000 | |
123 | T | B | -1.3111 | |
124 | P | B | -0.9265 | |
125 | P | B | -0.7418 | |
126 | V | B | -0.9771 | |
127 | Q | B | -0.9784 | |
128 | A | B | -0.8237 | |
129 | A | B | 0.0000 | |
130 | Y | B | 0.0000 | |
131 | Q | B | -1.2742 | |
132 | K | B | -1.2720 | |
133 | V | B | 0.0000 | |
134 | V | B | 0.0000 | |
135 | A | B | -0.8580 | |
136 | G | B | -0.7374 | |
137 | V | B | -0.5038 | |
138 | A | B | 0.0000 | |
139 | N | B | -1.3958 | |
140 | A | B | 0.0000 | |
141 | L | B | -0.7884 | |
142 | A | B | -1.5502 | |
143 | H | B | -1.7681 | |
144 | K | B | -2.1571 | |
145 | Y | B | -1.1101 | |
146 | H | B | -1.1478 |