Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.883 ΔGbinding 0.384
TOTAL
 1.267
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.792
Van der Waals -3.657 Backbone clash 0.009
Electrostatics 0.455 Helix dipole 0.000
Solvation Polar 3.752 Water bridges -0.017
Solvation Hyd -5.345 Disulfide 0.000
VdW clashes 2.479 Electrost. Kon 0.617
Entropy sc 0.761 Part.cov.bonds 0.000
Entropy mc

1.823

 ΔGstability

11.348
       

Predicted ligand sequences for model [BBC1_1ZUK2-8.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).
 
  BBC1_1ZUK2-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWRPLKPF 0.0
2 EWRPLKPF 0.04
3 DWRPLYPF 0.08
4 EWRPLYPF 0.12
5 DWRPLKRF 0.13
6 DWRPRKPF 0.14
7 FWRPLKPF 0.16
8 DWRPLKKF 0.17
9 EWRPLKRF 0.17
10 EWRPRKPF 0.18
11 DWRPLRPF 0.19
12 DWRPLYRF 0.21
13 DWRPRYPF 0.21
14 EWRPLKKF 0.21
15 EWRPLRPF 0.23
16 FWRPLYPF 0.24
17 EWRPLYRF 0.25
18 DWRPLYKF 0.25
19 EWRPRYPF 0.26
20 DWRPRKRF 0.26
21 DWRKLKPF 0.27
22 DWRFLKPF 0.29
23 EWRPLYKF 0.29
24 FWRPLKRF 0.29
25 FWRPRKPF 0.3
26 EWRPRKRF 0.3
27 EWRKLKPF 0.31
28 DWRPRKKF 0.31
29 DWRPLRRF 0.32
30 FWRPLKKF 0.33
31 DWRPRRPF 0.33
32 EWRFLKPF 0.33
33 DWRPRYRF 0.34
34 FWRPLRPF 0.35
35 DWRKLYPF 0.35
36 EWRPRKKF 0.35
37 DWRPLRKF 0.36
38 EWRPLRRF 0.36
39 DWRFLYPF 0.37
40 EWRPRRPF 0.37
41 FWRPLYRF 0.37
42 DWRPFKPF 0.38
43 FWRPRYPF 0.38
44 EWRPRYRF 0.38
45 EWRKLYPF 0.39
46 DWRPRYKF 0.39
47 DWRKLKRF 0.4
48 EWRPLRKF 0.4
49 FWRPLYKF 0.41
50 EWRFLYPF 0.41
51 DWRKRKPF 0.41
52 EWRPFKPF 0.42
53 DWRFLKRF 0.42
54 FWRPRKRF 0.42
55 EWRPRYKF 0.43
56 DWRFRKPF 0.43
57 FWRKLKPF 0.44
58 EWRKLKRF 0.44
59 DWRKLKKF 0.44
60 FWRFLKPF 0.45
61 EWRKRKPF 0.45
62 DWRPRRRF 0.45
63 EWRFLKRF 0.46
64 DWRFLKKF 0.46
65 DWRKLRPF 0.46
66 DWRPFYPF 0.46
67 EWRFRKPF 0.47
68 FWRPRKKF 0.47
69 FWRPLRRF 0.48
70 DWRFLRPF 0.48
71 EWRKLKKF 0.48
72 DWRKLYRF 0.48
73 EWRPRRRF 0.49
74 DWRKRYPF 0.49
75 FWRPRRPF 0.49
76 FWRPRYRF 0.5
77 DWRPRRKF 0.5
78 DWRFLYRF 0.5
79 EWRPFYPF 0.5
80 DWRFRYPF 0.51
81 EWRFLKKF 0.51
82 EWRKLRPF 0.51
83 FWRKLYPF 0.51
84 DWRPFKRF 0.51
85 FWRPLRKF 0.52
86 EWRKLYRF 0.52
87 EWRFLRPF 0.52
88 DWRKLYKF 0.52
89 FWRFLYPF 0.53
90 EWRKRYPF 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DWRPRKRF

3.34

-7.7

-4.36
2 EWRPRKRF

3.11

-7.45

-4.34
3 EWRPRKPF

3.47

-7.51

-4.04
4 FWRPRKPF

3.46

-7.07

-3.61
5 EWRPLYKF

2.82

-6.27

-3.45
6 EWRPLYPF

3.4

-6.7

-3.3
7 DWRKLKPF

3.4

-6.58

-3.18
8 EWRPRYPF

3.82

-6.99

-3.17
9 DWRPRKPF

3.2

-6.31

-3.11
10 DWRPLKPF

3.78

-6.71

-2.93
11 FWRPLKRF

3.0

-5.76

-2.76
12 DWRPRYPF

3.04

-5.76

-2.72
13 DWRPLKKF

3.17

-5.84

-2.67
14 EWRPLKPF

3.46

-6.11

-2.65
15 DWRPLYKF

3.81

-6.38

-2.57
16 EWRPLYRF

3.95

-6.51

-2.56
17 FWRPLKKF

3.98

-6.48

-2.5
18 DWRPLKRF

4.0

-6.5

-2.5
19 DWRPLYRF

3.28

-5.77

-2.49
20 EWRPLKRF

2.98

-5.43

-2.45
21 DWRFLKPF

3.12

-5.49

-2.37
22 FWRPLYPF

2.79

-5.11

-2.32
23 DWRPLRRF

3.29

-5.41

-2.12
24 EWRPLRPF

3.27

-5.2

-1.93
25 EWRKLKPF

4.32

-6.17

-1.85
26 DWRPRKKF

3.26

-4.94

-1.68
27 DWRPLRPF

4.02

-5.7

-1.68
28 DWRPLYPF

3.94

-5.41

-1.47
29 FWRPLKPF

3.77

-4.91

-1.14
30 EWRPLKKF

3.72

-4.36

-0.64

 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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