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 |
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] Analysis: Starting Aggrescan3D on folded.pdb (00:01:42) [INFO] Main: Simulation completed successfully. (00:01:43) |
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 | 0.7058 | |
2 | Q | A | -0.6799 | |
3 | T | A | -0.4675 | |
4 | I | A | 0.8533 | |
5 | L | A | 0.0926 | |
6 | Q | A | -1.6741 | |
7 | D | A | -1.6453 | |
8 | Y | A | -0.2308 | |
9 | A | A | -1.1045 | |
10 | N | A | -1.6145 | |
11 | V | A | 0.4602 | |
12 | V | A | -0.3473 | |
13 | D | A | -1.7770 | |
14 | G | A | -0.8859 | |
15 | S | A | -0.4982 | |
16 | F | A | 0.1062 | |
17 | F | A | 0.4047 | |
18 | R | A | -1.6598 | |
19 | H | A | -1.0109 | |
20 | W | A | -0.1430 | |
21 | K | A | -1.1895 | |
22 | L | A | 0.4002 | |
23 | F | A | -0.1107 | |
24 | S | A | -0.6500 | |
25 | G | A | -0.6600 | |
26 | M | A | -0.9744 | |
27 | E | A | -2.4720 | |
28 | A | A | -1.7870 | |
29 | K | A | -2.9040 | |
30 | N | A | -2.3437 | |
31 | L | A | -1.4729 | |
32 | Q | A | -1.8067 | |
33 | R | A | -2.3106 | |
34 | L | A | -0.7547 | |
35 | Y | A | 0.0000 | |
36 | N | A | -1.1788 | |
37 | G | A | -1.4143 | |
38 | L | A | -0.6113 | |
39 | V | A | -1.2062 | |
40 | E | A | -2.7401 | |
41 | R | A | -3.7809 | |
42 | E | A | -3.8486 | |
43 | C | A | -3.3073 | |
44 | E | A | -4.4475 | |
45 | D | A | -4.4601 | |
46 | G | A | -3.4151 | |
47 | Q | A | -3.1973 | |
48 | E | A | -2.8731 | |
49 | Y | A | -1.0797 | |
50 | S | A | -0.5033 | |
51 | L | A | -0.2452 | |
52 | L | A | -1.0322 | |
53 | D | A | -1.7235 | |
54 | Q | A | -2.5199 | |
55 | R | A | -2.9103 | |
56 | S | A | -1.6994 | |
57 | K | A | -1.9786 | |
58 | A | A | -1.6569 | |
59 | H | A | -1.3049 | |
60 | I | A | -0.1828 | |
61 | D | A | -0.5366 | |
62 | S | A | -0.2781 | |
63 | I | A | 0.0427 | |
64 | A | A | 0.0000 | |
65 | L | A | 0.0344 | |
66 | S | A | -0.4659 | |
67 | I | A | 0.0000 | |
68 | Y | A | -0.4587 | |
69 | K | A | -1.9545 | |
70 | H | A | -1.8033 | |
71 | V | A | -0.7644 | |
72 | T | A | -1.1089 | |
73 | S | A | -1.5958 | |
74 | H | A | -1.8724 | |
75 | E | A | -1.7245 | |
76 | F | A | 0.1394 | |
77 | S | A | -0.0859 | |
78 | L | A | 0.3690 | |
79 | P | A | 0.0319 | |
80 | S | A | -0.0837 | |
81 | W | A | 0.3855 | |
82 | V | A | 0.4347 | |
83 | G | A | -0.3341 | |
84 | L | A | -0.2391 | |
85 | A | A | 0.0000 | |
86 | S | A | -0.1297 | |
87 | D | A | -1.1366 | |
88 | M | A | -0.3575 | |
89 | L | A | 0.3566 | |
90 | T | A | -0.3573 | |
91 | G | A | -1.1350 | |
92 | G | A | -1.1939 | |
93 | T | A | -1.3623 | |
94 | L | A | -1.1561 | |
95 | R | A | -1.6903 | |
96 | V | A | 0.0000 | |
97 | V | A | 0.8662 | |
98 | A | A | -0.0883 | |
99 | G | A | -0.0579 | |
100 | G | A | 0.0529 | |
101 | L | A | 0.3629 | |
102 | Q | A | -1.0241 | |
103 | V | A | -0.8954 | |
104 | K | A | -1.8855 | |
105 | T | A | -1.5350 | |
106 | I | A | -0.7273 | |
107 | N | A | -1.8497 | |
108 | N | A | -1.8601 | |
109 | P | A | -1.5080 | |
110 | H | A | -1.8648 | |
111 | G | A | -1.4440 |