Chain sequence(s) |
A: NKDEAGGNWKQFKGKVKEQWGKLTDDDMTIIEGKRDQLVGKIQERYGYQKDQAEKEVVDWETRNEYRWVKIVSRKSLGVQNVYDIGVEKDHNFLLANGLIASNEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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 (00:04:03) [INFO] Main: Simulation completed successfully. (00:04:04) |
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 | N | A | -3.3193 | |
2 | K | A | -3.9585 | |
3 | D | A | -4.5099 | |
4 | E | A | -4.3748 | |
5 | A | A | -3.0197 | |
6 | G | A | -3.1547 | |
7 | G | A | -3.1379 | |
8 | N | A | -2.8543 | |
9 | W | A | -2.3726 | |
10 | K | A | -3.2768 | |
11 | Q | A | -2.8407 | |
12 | F | A | 0.0000 | |
13 | K | A | -2.8867 | |
14 | G | A | -2.7284 | |
15 | K | A | -2.5881 | |
16 | V | A | 0.0000 | |
17 | K | A | -3.1050 | |
18 | E | A | -3.1601 | |
19 | Q | A | -2.3412 | |
20 | W | A | 0.0000 | |
21 | G | A | -2.2750 | |
22 | K | A | -2.6626 | |
23 | L | A | 0.0000 | |
24 | T | A | -2.2080 | |
25 | D | A | -2.9141 | |
26 | D | A | -2.4287 | |
27 | D | A | 0.0000 | |
28 | M | A | 0.0000 | |
29 | T | A | -1.0740 | |
30 | I | A | -0.3598 | |
31 | I | A | 0.0000 | |
32 | E | A | -1.6358 | |
33 | G | A | -1.7106 | |
34 | K | A | -2.4256 | |
35 | R | A | -2.5643 | |
36 | D | A | -2.8569 | |
37 | Q | A | -2.0851 | |
38 | L | A | 0.0000 | |
39 | V | A | 0.0000 | |
40 | G | A | -2.2298 | |
41 | K | A | -1.6670 | |
42 | I | A | 0.0000 | |
43 | Q | A | -2.4171 | |
44 | E | A | -2.7855 | |
45 | R | A | -1.9932 | |
46 | Y | A | -1.0954 | |
47 | G | A | -1.4473 | |
48 | Y | A | -1.8094 | |
49 | Q | A | -3.0232 | |
50 | K | A | -3.7395 | |
51 | D | A | -3.7766 | |
52 | Q | A | -2.8686 | |
53 | A | A | 0.0000 | |
54 | E | A | -3.4880 | |
55 | K | A | -3.4272 | |
56 | E | A | -2.3629 | |
57 | V | A | 0.0000 | |
58 | V | A | -1.5774 | |
59 | D | A | -2.7974 | |
60 | W | A | 0.0000 | |
61 | E | A | 0.0000 | |
62 | T | A | -2.3580 | |
63 | R | A | -2.8908 | |
64 | N | A | -2.5515 | |
65 | E | A | -3.0205 | |
66 | Y | A | -1.6697 | |
67 | R | A | -1.7235 | |
68 | W | A | -0.3647 | |
69 | V | A | 1.1973 | |
70 | K | A | 0.1741 | |
71 | I | A | 1.4544 | |
72 | V | A | 1.7111 | |
73 | S | A | -0.5042 | |
74 | R | A | -2.0103 | |
75 | K | A | -2.4126 | |
76 | S | A | -0.7948 | |
77 | L | A | 0.7090 | |
78 | G | A | 0.4111 | |
79 | V | A | 1.2341 | |
80 | Q | A | -0.1459 | |
81 | N | A | -0.3828 | |
82 | V | A | 1.3914 | |
83 | Y | A | 1.1116 | |
84 | D | A | -0.8162 | |
85 | I | A | -0.8374 | |
86 | G | A | -1.6892 | |
87 | V | A | -2.0673 | |
88 | E | A | -2.8538 | |
89 | K | A | -3.6285 | |
90 | D | A | -3.4610 | |
91 | H | A | -3.4495 | |
92 | N | A | -1.8359 | |
93 | F | A | 0.4962 | |
94 | L | A | 2.2300 | |
95 | L | A | 0.0000 | |
96 | A | A | 0.6317 | |
97 | N | A | -0.1518 | |
98 | G | A | 0.7071 | |
99 | L | A | 2.5511 | |
100 | I | A | 2.8385 | |
101 | A | A | 0.7815 | |
102 | S | A | -0.7953 | |
103 | N | A | -2.1438 | |
104 | E | A | -3.5607 | |
105 | G | A | -2.7921 | |
106 | T | A | -0.6639 | |
107 | F | A | 1.0043 | |
108 | T | A | 0.4243 | |
109 | S | A | -0.2510 | |
110 | D | A | -0.7323 | |
111 | V | A | 1.2398 | |
112 | S | A | 0.9003 | |
113 | S | A | 0.5288 | |
114 | Y | A | 1.6570 | |
115 | L | A | 1.7662 | |
116 | E | A | 0.0209 | |
117 | G | A | -0.5968 | |
118 | Q | A | -1.3554 | |
119 | A | A | -0.5641 | |
120 | A | A | -0.6833 | |
121 | K | A | -1.9472 | |
122 | E | A | -0.9544 | |
123 | F | A | 0.6720 | |
124 | I | A | 0.7531 | |
125 | A | A | 0.5096 | |
126 | W | A | 0.7655 | |
127 | L | A | 0.6707 | |
128 | V | A | 1.0636 | |
129 | R | A | -1.1867 | |
130 | G | A | -1.6303 | |
131 | R | A | -2.2927 | |
132 | G | A | -1.7074 |