Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-12.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 5.395 ΔGbinding -0.479
TOTAL
 4.916
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.613
Van der Waals -1.867 Backbone clash 0.000
Electrostatics -0.007 Helix dipole 0.000
Solvation Polar 2.054 Water bridges 0.000
Solvation Hyd -2.676 Disulfide 0.000
VdW clashes 0.225 Electrost. Kon -0.053
Entropy sc 0.089 Part.cov.bonds 0.000
Entropy mc

1.143

 ΔGstability

59.896
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-12.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).
 
  BEM1-D1_JO8-QCF-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YEFRPKFK 0.0
2 WEFRPKFK 0.01
3 FEFRPKFK 0.02
4 YEFRPKFR 0.05
5 WEFRPKFR 0.06
6 YEFRRKFK 0.07
7 FEFRPKFR 0.07
8 WEFRRKFK 0.08
9 FEFRRKFK 0.09
10 YEFRRKFR 0.12
11 WEFRRKFR 0.13
12 FEFRRKFR 0.14
13 YEFRKKFK 0.16
14 WEFRKKFK 0.17
15 FEFRKKFK 0.18
16 YEFRKKFR 0.21
17 YEFRPKWK 0.21
18 WEFRPKWK 0.22
19 WEFRKKFR 0.22
20 FEFRPKWK 0.23
21 FEFRKKFR 0.23
22 YRFRPKFK 0.24
23 WRFRPKFK 0.25
24 FRFRPKFK 0.26
25 YEFRPKWR 0.26
26 WEFRPKWR 0.27
27 FEFRPKWR 0.28
28 YEFRRKWK 0.28
29 YKFRPKFK 0.28
30 YRFRPKFR 0.29
31 WKFRPKFK 0.29
32 WEFRRKWK 0.29
33 FEFRRKWK 0.3
34 WRFRPKFR 0.3
35 FKFRPKFK 0.3
36 YRFRRKFK 0.31
37 FRFRPKFR 0.32
38 WRFRRKFK 0.32
39 FRFRRKFK 0.33
40 YEFRRKWR 0.33
41 YKFRPKFR 0.33
42 WKFRPKFR 0.34
43 WEFRRKWR 0.34
44 FKFRPKFR 0.35
45 YKFRRKFK 0.35
46 FEFRRKWR 0.36
47 YRFRRKFR 0.36
48 WKFRRKFK 0.36
49 YEFRKKWK 0.37
50 YEFRPKFH 0.37
51 WRFRRKFR 0.37
52 FKFRRKFK 0.37
53 WEFRKKWK 0.38
54 WEFRPKFH 0.38
55 FRFRRKFR 0.39
56 FEFRKKWK 0.39
57 YEMRPKFK 0.4
58 FEFRPKFH 0.4
59 YRFRKKFK 0.4
60 YKFRRKFR 0.4
61 WKFRRKFR 0.41
62 WRFRKKFK 0.41
63 WEMRPKFK 0.41
64 YEFRKKWR 0.42
65 FRFRKKFK 0.42
66 FEMRPKFK 0.42
67 YEYRPKFK 0.43
68 WEFRKKWR 0.43
69 FKFRRKFR 0.43
70 WEYRPKFK 0.44
71 YKFRKKFK 0.44
72 YRFRPKWK 0.45
73 WKFRKKFK 0.45
74 YEMRPKFR 0.45
75 YEFRRKFH 0.45
76 FEYRPKFK 0.45
77 WEFRRKFH 0.45
78 FEFRKKWR 0.45
79 YRFRKKFR 0.45
80 FKFRKKFK 0.46
81 WEMRPKFR 0.46
82 WRFRPKWK 0.46
83 WRFRKKFR 0.46
84 FEFRRKFH 0.47
85 FRFRPKWK 0.47
86 YEMRRKFK 0.47
87 YEYRPKFR 0.48
88 FEMRPKFR 0.48
89 FRFRKKFR 0.48
90 WEMRRKFK 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEFRKKFR

4.28

-6.7

-2.42
2 YRFRPKFK

3.8

-6.22

-2.42
3 FEFRRKFR

4.41

-6.81

-2.4
4 FEFRPKFK

4.46

-6.76

-2.3
5 FEFRPKFR

4.44

-6.68

-2.24
6 YEFRRKFK

4.49

-6.68

-2.19
7 YEFRPKFK

4.56

-6.42

-1.86
8 YRFRPKFR

4.75

-6.59

-1.84
9 WEFRPKWK

4.73

-6.54

-1.81
10 FEFRRKFK

4.48

-6.22

-1.74
11 YEFRPKFR

4.72

-6.32

-1.6
12 WEFRRKFK

4.43

-6.01

-1.58
13 YEFRPKWR

4.79

-6.31

-1.52
14 FRFRPKFK

4.81

-6.32

-1.51
15 YEFRPKWK

4.74

-6.24

-1.5
16 WEFRPKWR

4.56

-5.99

-1.43
17 YEFRKKFR

4.67

-6.09

-1.42
18 FEFRPKWK

4.54

-5.95

-1.41
19 WEFRKKFK

4.86

-6.25

-1.39
20 WEFRPKFK

4.99

-6.22

-1.23
21 WEFRRKFR

4.57

-5.77

-1.2
22 FEFRKKFK

4.58

-5.74

-1.16
23 WEFRKKFR

4.51

-5.64

-1.13
24 YEFRRKFR

4.71

-5.75

-1.04
25 FEFRPKWR

5.89

-6.81

-0.92
26 WEFRPKFR

4.8

-5.67

-0.87
27 WRFRPKFK

4.54

-5.3

-0.76
28 YEFRKKFK

5.7

-5.66

0.04
29 YKFRPKFK

6.26

-5.66

0.6
30 YEFRRKWK

5.95

-4.23

1.72

 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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