Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_1ZUU-2.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A
A
A
A
 A
A
 A
A
 A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 4.817 ΔGbinding 3.438
TOTAL
 8.255
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.205
Van der Waals -6.727 Backbone clash 0.071
Electrostatics -0.269 Helix dipole 0.000
Solvation Polar 7.756 Water bridges -0.189
Solvation Hyd -9.450 Disulfide 0.000
VdW clashes 10.150 Electrost. Kon -0.414
Entropy sc 1.285 Part.cov.bonds 0.000
Entropy mc

3.139

 ΔGstability

77.452
       

Predicted ligand sequences for model [SLA1-D1_1ZUU-2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  SLA1-D1_1ZUU-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPKRRARKKR 0.0
2 WPRRRARKKR 0.01
3 WFKRRARKKR 0.11
4 WFRRRARKKR 0.12
5 WPKRRARWKR 0.15
6 WPRRRARWKR 0.16
7 WPKRRAWKKR 0.16
8 WPRRRAWKKR 0.17
9 WPKRRCRKKR 0.2
10 WPKRRARKKK 0.2
11 WPRRRCRKKR 0.21
12 WPRRRARKKK 0.21
13 WFKRRARWKR 0.26
14 WFRRRARWKR 0.27
15 WFKRRAWKKR 0.27
16 WPKRHARKKR 0.28
17 WFRRRAWKKR 0.28
18 WPRRHARKKR 0.29
19 WPKRRPRKKR 0.3
20 WFKRRCRKKR 0.31
21 WPKRRARKRR 0.31
22 WPRRRPRKKR 0.31
23 WPKRRAWWKR 0.31
24 WFKRRARKKK 0.31
25 WFRRRARKKK 0.32
26 WPRRRAWWKR 0.32
27 WPRRRARKRR 0.32
28 WFRRRCRKKR 0.32
29 WPKRRARPKR 0.32
30 WPRRRARPKR 0.33
31 WPKRRARKKH 0.34
32 WPKRRCRWKR 0.35
33 WPPRRARKKR 0.35
34 WPKRRARWKK 0.35
35 WPRRRARKKH 0.35
36 WPRRRCRWKR 0.35
37 WPKRRCWKKR 0.36
38 WPRRRARWKK 0.36
39 WPKRRAWKKK 0.36
40 WPRRRAWKKK 0.37
41 WPRRRCWKKR 0.37
42 WFKRHARKKR 0.39
43 WPKRRCRKKK 0.4
44 WFRRHARKKR 0.4
45 WFKRRPRKKR 0.41
46 WPRRRCRKKK 0.41
47 WFRRRPRKKR 0.42
48 WFKRRARKRR 0.42
49 WFKRRAWWKR 0.42
50 WFRRRAWWKR 0.43
51 WPKRHARWKR 0.43
52 WFKRRARPKR 0.43
53 WFRRRARKRR 0.43
54 WFRRRARPKR 0.44
55 WPRRHARWKR 0.44
56 WPKRHAWKKR 0.44
57 WFKRRARKKH 0.45
58 WPRRHAWKKR 0.45
59 WPKRRPRWKR 0.45
60 WFRRRARKKH 0.46
61 WFPRRARKKR 0.46
62 WFRRRCRWKR 0.46
63 WFKRRARWKK 0.46
64 WFKRRCRWKR 0.46
65 WPRRRPRWKR 0.46
66 WPKRRARWRR 0.46
67 WPKRRPWKKR 0.46
68 WFKRRCWKKR 0.47
69 WPKRRAWKRR 0.47
70 WPRRRPWKKR 0.47
71 WPRRRARWRR 0.47
72 WVKRRARKKR 0.47
73 WFRRRARWKK 0.47
74 WFKRRAWKKK 0.47
75 WPKRHCRKKR 0.48
76 WVRRRARKKR 0.48
77 WPKRHARKKK 0.48
78 WPRRRAWKRR 0.48
79 WPKRRAWPKR 0.48
80 WFRRRCWKKR 0.48
81 WFRRRAWKKK 0.48
82 WPRRHARKKK 0.49
83 WPRRRAWPKR 0.49
84 WPRRHCRKKR 0.49
85 WPKRRARWKH 0.49
86 WPRRRARWKH 0.5
87 WPKRRPRKKK 0.5
88 WPPRRARWKR 0.5
89 WPKRRAWKKH 0.5
90 WFKRRCRKKK 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPKRRAWKKR

4.97

-7.47

-2.5
2 WPRRHARKKR

6.89

-8.75

-1.86
3 WPRRRAWKKR

5.33

-7.07

-1.74
4 WPRRRARWKR

6.95

-8.42

-1.47
5 WPKRRARKRR

6.1

-7.34

-1.24
6 WPRRRAWWKR

5.13

-6.3

-1.17
7 WPRRRARKKK

5.76

-6.52

-0.76
8 WPKRRAWWKR

5.63

-5.88

-0.25
9 WPKRRARKKR

5.87

-6.12

-0.25
10 WPRRRARKKR

5.68

-5.92

-0.24
11 WPRRRARKRR

6.27

-6.42

-0.15
12 WPRRRARPKR

6.74

-6.74

0.0
13 WPKRHARKKR

5.68

-5.24

0.44
14 WPKRRARKKK

5.92

-5.41

0.51
15 WPKRRARWKR

5.54

-4.97

0.57
16 WPRRRCRKKR

6.89

-5.81

1.08
17 WPKRRARPKR

6.9

-5.0

1.9
18 WFRRRAWKKR

5.26

-2.96

2.3
19 WFRRRARKKR

6.11

-3.42

2.69
20 WFKRRARKKK

6.15

-3.28

2.87
21 WFKRRARWKR

6.27

-3.25

3.02
22 WFKRRARKKR

5.88

-2.84

3.04
23 WFKRRAWKKR

5.22

-2.12

3.1
24 WPKRRPRKKR

6.68

-3.44

3.24
25 WPRRRPRKKR

7.67

-4.17

3.5
26 WFRRRARKKK

5.43

-1.88

3.55
27 WFRRRARWKR

7.6

-3.54

4.06
28 WPKRRCRKKR

8.04

-3.93

4.11
29 WFKRRCRKKR

6.69

-0.65

6.04
30 WFRRRCRKKR

7.34

-0.48

6.86

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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