Chain sequence(s) |
A: MKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFQIRHNIEDGSVQLAEHYQQNTPSANGPCCCP
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 (00:01:40) [INFO] Main: Simulation completed successfully. (00:01:40) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
1 | M | A | -0.3772 | |
2 | K | A | -2.2274 | |
3 | Q | A | -1.9487 | |
4 | H | A | -1.2708 | |
5 | D | A | -1.4513 | |
6 | F | A | 0.0000 | |
7 | F | A | -0.3670 | |
8 | K | A | -1.7641 | |
9 | S | A | -1.2666 | |
10 | A | A | 0.0000 | |
11 | M | A | -0.8278 | |
12 | P | A | -1.2633 | |
13 | E | A | -1.9271 | |
14 | G | A | 0.0000 | |
15 | Y | A | -1.0194 | |
16 | V | A | -1.1771 | |
17 | Q | A | -1.9778 | |
18 | E | A | -2.7463 | |
19 | R | A | -1.7032 | |
20 | T | A | -0.8671 | |
21 | I | A | 0.0000 | |
22 | F | A | 0.1392 | |
23 | F | A | 0.0000 | |
24 | K | A | -1.6787 | |
25 | D | A | -2.5012 | |
26 | D | A | -2.2811 | |
27 | G | A | 0.0000 | |
28 | N | A | -0.7427 | |
29 | Y | A | -0.4357 | |
30 | K | A | -1.9919 | |
31 | T | A | -2.0332 | |
32 | R | A | -3.1973 | |
33 | A | A | 0.0000 | |
34 | E | A | -2.2836 | |
35 | V | A | 0.0000 | |
36 | K | A | -1.2201 | |
37 | F | A | -0.5103 | |
38 | E | A | -1.0036 | |
39 | G | A | -1.3250 | |
40 | D | A | -1.7937 | |
41 | T | A | -0.6824 | |
42 | L | A | 0.3186 | |
43 | V | A | -0.6021 | |
44 | N | A | -1.5653 | |
45 | R | A | -2.4055 | |
46 | I | A | -0.6870 | |
47 | E | A | -1.9936 | |
48 | L | A | -0.8242 | |
49 | K | A | -1.7100 | |
50 | G | A | -0.6005 | |
51 | I | A | -0.5586 | |
52 | D | A | -1.8995 | |
53 | F | A | -2.0643 | |
54 | K | A | -3.5118 | |
55 | E | A | -3.5985 | |
56 | D | A | -3.3413 | |
57 | G | A | -2.5654 | |
58 | N | A | -1.9540 | |
59 | I | A | -0.8631 | |
60 | L | A | -1.0518 | |
61 | G | A | -1.8543 | |
62 | H | A | -1.6536 | |
63 | K | A | -2.0045 | |
64 | L | A | -1.0222 | |
65 | E | A | -1.4136 | |
66 | Y | A | 0.2075 | |
67 | N | A | -0.2886 | |
68 | Y | A | 0.4106 | |
69 | N | A | -0.4314 | |
70 | S | A | -0.4418 | |
71 | H | A | -0.6850 | |
72 | N | A | -0.5420 | |
73 | V | A | 1.2198 | |
74 | Y | A | 1.8403 | |
75 | I | A | 1.7193 | |
76 | M | A | 1.0009 | |
77 | A | A | -0.7627 | |
78 | D | A | -2.2348 | |
79 | K | A | -3.1673 | |
80 | Q | A | -3.3086 | |
81 | K | A | -3.7105 | |
82 | N | A | -3.1825 | |
83 | G | A | 0.0000 | |
84 | I | A | 0.0000 | |
85 | K | A | -1.0212 | |
86 | V | A | 0.0000 | |
87 | N | A | -0.3138 | |
88 | F | A | 0.0000 | |
89 | Q | A | -1.0109 | |
90 | I | A | 0.0000 | |
91 | R | A | -0.8153 | |
92 | H | A | -0.5994 | |
93 | N | A | -1.1402 | |
94 | I | A | 0.0000 | |
95 | E | A | -3.1374 | |
96 | D | A | -2.9920 | |
97 | G | A | -1.8801 | |
98 | S | A | -0.8827 | |
99 | V | A | 0.0618 | |
100 | Q | A | 0.0000 | |
101 | L | A | -0.5054 | |
102 | A | A | 0.0000 | |
103 | E | A | -0.5031 | |
104 | H | A | 0.0000 | |
105 | Y | A | -0.3532 | |
106 | Q | A | 0.0000 | |
107 | Q | A | -2.2033 | |
108 | N | A | 0.0000 | |
109 | T | A | -1.2979 | |
110 | P | A | -1.0939 | |
111 | S | A | -0.9791 | |
112 | A | A | -1.2402 | |
113 | N | A | -1.7481 | |
114 | G | A | -1.0679 | |
115 | P | A | -0.6600 | |
116 | C | A | -0.6389 | |
117 | C | A | -0.7298 | |
118 | C | A | -0.4921 | |
119 | P | A | -0.2825 |