Chain sequence(s) |
A: MSSQTVTPDPYGNLAESYDRLAQWAIDQQQESPRDRVGDFLQTFWQSQDRPVRTVLEICCGTGLMLAELARRGYVVTGLDRSAAMLEQARARMGGKTTLIRAEL
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] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:55) [INFO] Main: Simulation completed successfully. (00:00:55) |
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 | 0.6945 | |
2 | S | A | -0.1778 | |
3 | S | A | -0.2762 | |
4 | Q | A | -0.6508 | |
5 | T | A | -0.0317 | |
6 | V | A | 0.8459 | |
7 | T | A | 0.0254 | |
8 | P | A | -0.5942 | |
9 | D | A | -1.0460 | |
10 | P | A | -0.5887 | |
11 | Y | A | -0.2657 | |
12 | G | A | -1.0168 | |
13 | N | A | -1.5782 | |
14 | L | A | -0.7496 | |
15 | A | A | -1.3582 | |
16 | E | A | -2.2655 | |
17 | S | A | -1.3475 | |
18 | Y | A | -0.9252 | |
19 | D | A | -1.2829 | |
20 | R | A | -1.8929 | |
21 | L | A | -0.1086 | |
22 | A | A | 0.0000 | |
23 | Q | A | -1.7586 | |
24 | W | A | -0.9028 | |
25 | A | A | -1.7222 | |
26 | I | A | -2.3678 | |
27 | D | A | -2.7282 | |
28 | Q | A | -2.8816 | |
29 | Q | A | -3.0648 | |
30 | Q | A | -2.6444 | |
31 | E | A | -2.3545 | |
32 | S | A | -2.2192 | |
33 | P | A | -2.4739 | |
34 | R | A | -1.8574 | |
35 | D | A | -2.7880 | |
36 | R | A | -2.5883 | |
37 | V | A | -0.9831 | |
38 | G | A | 0.0000 | |
39 | D | A | -1.2693 | |
40 | F | A | 1.1911 | |
41 | L | A | 0.9221 | |
42 | Q | A | 0.1206 | |
43 | T | A | 0.4308 | |
44 | F | A | 1.5619 | |
45 | W | A | -0.5310 | |
46 | Q | A | -1.8455 | |
47 | S | A | -1.3471 | |
48 | Q | A | -2.8808 | |
49 | D | A | -3.5915 | |
50 | R | A | -3.4280 | |
51 | P | A | -2.2357 | |
52 | V | A | -1.0557 | |
53 | R | A | -1.5080 | |
54 | T | A | -0.3153 | |
55 | V | A | 0.0000 | |
56 | L | A | 1.3544 | |
57 | E | A | 1.0467 | |
58 | I | A | 2.3446 | |
59 | C | A | 1.6018 | |
60 | C | A | 1.1185 | |
61 | G | A | 0.0000 | |
62 | T | A | 0.0000 | |
63 | G | A | 0.0000 | |
64 | L | A | 0.0878 | |
65 | M | A | -0.2888 | |
66 | L | A | 0.0000 | |
67 | A | A | -0.5826 | |
68 | E | A | 0.0000 | |
69 | L | A | 0.0000 | |
70 | A | A | -1.1188 | |
71 | R | A | -2.1500 | |
72 | R | A | -1.6274 | |
73 | G | A | -1.2462 | |
74 | Y | A | -0.5323 | |
75 | V | A | 0.1215 | |
76 | V | A | 0.0000 | |
77 | T | A | 0.5022 | |
78 | G | A | 0.0000 | |
79 | L | A | 1.2081 | |
80 | D | A | 0.5756 | |
81 | R | A | -0.0249 | |
82 | S | A | 0.0000 | |
83 | A | A | -0.8727 | |
84 | A | A | -1.0560 | |
85 | M | A | 0.0000 | |
86 | L | A | 0.0000 | |
87 | E | A | -2.4011 | |
88 | Q | A | -1.9299 | |
89 | A | A | 0.0000 | |
90 | R | A | -2.1501 | |
91 | A | A | -1.5316 | |
92 | R | A | -1.5936 | |
93 | M | A | 0.0000 | |
94 | G | A | -1.4932 | |
95 | G | A | -1.6494 | |
96 | K | A | -1.9435 | |
97 | T | A | -0.8545 | |
98 | T | A | -0.2905 | |
99 | L | A | 0.0000 | |
100 | I | A | 0.5770 | |
101 | R | A | -0.0975 | |
102 | A | A | 0.3385 | |
103 | E | A | -0.1949 | |
104 | L | A | 0.9094 |