Predicted ligand sequences


ADAN-name: 1Q1S3.PDB (view again the scoring matrix)

PDB name: [1Q1S.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D A Q H A A P P K K K R K V E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
poly-Ala
A
 A
A
A
 A 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 13.697 ΔGbinding -5.433
TOTAL
 8.264
Backbone Hb -10.600 Cis_bond 0.000
Sidechain Hb -14.337 Torsional clash 6.990
Van der Waals -21.357 Backbone clash 2.263
Electrostatics -3.214 Helix dipole -0.148
Solvation Polar 33.892 Water bridges -0.394
Solvation Hyd -25.526 Disulfide 0.000
VdW clashes 12.589 Electrost. Kon -1.446
Entropy sc 8.537 Part.cov.bonds 0.000
Entropy mc

9.582

 ΔGstability

-12.794
       

Predicted ligand sequences for template [1Q1S3.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).
 
  1Q1S3.PDB  

(data)
# Predicted Sequences Value Calculate
1 HGGDDSSKRKRRQWG 0.0
2 HGGDDsSKRKRRQWG 0.05
3 HGGDESSKRKRRQWG 0.1
4 HRGDDSSKRKRRQWG 0.13
5 HGGDEsSKRKRRQWG 0.15
6 HRGDDsSKRKRRQWG 0.17
7 HGGDDSSKEKRRQWG 0.19
8 HGGDsSSKRKRRQWG 0.19
9 HGGDDSSPRKRRQWG 0.21
10 HPGDDSSKRKRRQWG 0.21
11 HRGDESSKRKRRQWG 0.22
12 HGGDDsSKEKRRQWG 0.23
13 HGGDssSKRKRRQWG 0.24
14 HGGDDSSKRKRRQWy 0.24
15 RGGDDSSKRKRRQWG 0.24
16 HGGDDsSPRKRRQWG 0.26
17 HPGDDsSKRKRRQWG 0.26
18 HRGDEsSKRKRRQWG 0.27
19 HGGDESSKEKRRQWG 0.28
20 HGGDDsSKRKRRQWy 0.29
21 HGGDDSSMRKRRQWG 0.29
22 RGGDDsSKRKRRQWG 0.29
23 HGGDESSPRKRRQWG 0.31
24 HPGDESSKRKRRQWG 0.31
25 HRGDsSSKRKRRQWG 0.31
26 HRGDDSSKEKRRQWG 0.31
27 HGGDDSSKRKRRQKG 0.33
28 HGGDEsSKEKRRQWG 0.33
29 HGGDDsSMRKRRQWG 0.34
30 HGGDESSKRKRRQWy 0.34
31 HRGDDSSPRKRRQWG 0.34
32 RGGDESSKRKRRQWG 0.34
33 HRGDssSKRKRRQWG 0.36
34 HPGDEsSKRKRRQWG 0.36
35 RRGDDSSKRKRRQWG 0.36
36 HGGDEsSPRKRRQWG 0.36
37 HRGDDsSKEKRRQWG 0.36
38 HGGDDDSKRKRRQWG 0.37
39 HRGDDSSKRKRRQWy 0.37
40 HGGDsSSKEKRRQWG 0.38
41 RGGDEsSKRKRRQWG 0.38
42 HGGDDsSKRKRRQKG 0.38
43 HGGDEsSKRKRRQWy 0.39
44 HRGDDsSPRKRRQWG 0.39
45 HGGDESSMRKRRQWG 0.39
46 HGGDsSSPRKRRQWG 0.4
47 HPGDDSSKEKRRQWG 0.4
48 HPGDsSSKRKRRQWG 0.4
49 HGGDDSSPEKRRQWG 0.4
50 HRGDDsSKRKRRQWy 0.41
51 RRGDDsSKRKRRQWG 0.41
52 HGGDDSSKRKRRQMG 0.41
53 HRGDESSKEKRRQWG 0.41
54 HRGDDSSMRKRRQWG 0.42
55 HGGDssSKEKRRQWG 0.42
56 HPGDDSSPRKRRQWG 0.42
57 HGGDESSKRKRRQKG 0.43
58 HGGDDSSKEKRRQWy 0.43
59 RGGDsSSKRKRRQWG 0.43
60 RGGDDSSKEKRRQWG 0.43
61 HGGDsSSKRKRRQWy 0.43
62 HGGDEsSMRKRRQWG 0.44
63 HRGDESSPRKRRQWG 0.44
64 HGGDssSPRKRRQWG 0.45
65 HPGDDsSKEKRRQWG 0.45
66 HGGDDSSPRKRRQWy 0.45
67 HPGDssSKRKRRQWG 0.45
68 RGGDDSSPRKRRQWG 0.45
69 HGGDDsSPEKRRQWG 0.45
70 HPGDDSSKRKRRQWy 0.45
71 RPGDDSSKRKRRQWG 0.45
72 HGGDDsSKRKRRQMG 0.46
73 RRGDESSKRKRRQWG 0.46
74 HRGDDSSKRKRRQKG 0.46
75 HRGDEsSKEKRRQWG 0.46
76 HRGDESSKRKRRQWy 0.46
77 HGGDDSSKyKRRQWG 0.47
78 HRGDDsSMRKRRQWG 0.47
79 RGGDDsSKEKRRQWG 0.47
80 HGGDEDSKRKRRQWG 0.47
81 HPGDDsSPRKRRQWG 0.47
82 HGGDDSSMEKRRQWG 0.48
83 HRGDEsSPRKRRQWG 0.48
84 HGGDsSSMRKRRQWG 0.48
85 HGGDssSKRKRRQWy 0.48
86 HGGDEsSKRKRRQKG 0.48
87 RGGDDSSKRKRRQWy 0.48
88 RGGDssSKRKRRQWG 0.48
89 HGGDDsSKEKRRQWy 0.48
90 HRGDDDSKRKRRQWG 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HGGDDsSPRKRRQWG

8.15

-20.88

-12.73
2 HGGDDSSPRKRRQWG

8.4

-19.8

-11.4
3 HGGDESSPRKRRQWG

8.28

-18.9

-10.62
4 HGGDDSSKRKRRQWG

8.87

-18.57

-9.7
5 HRGDESSKRKRRQWG

9.04

-18.31

-9.27
6 HRGDsSSKRKRRQWG

9.32

-18.27

-8.95
7 HGGDDsSKRKRRQWG

8.84

-17.67

-8.83
8 HGGDEsSKEKRRQWG

8.62

-17.39

-8.77
9 HGGDESSKRKRRQWG

8.44

-16.84

-8.4
10 HPGDDsSKRKRRQWG

10.04

-18.42

-8.38
11 RGGDDSSKRKRRQWG

8.8

-17.14

-8.34
12 HGGDESSKRKRRQWy

8.56

-16.82

-8.26
13 HRGDDsSKRKRRQWG

9.3

-17.39

-8.09
14 HPGDDSSKRKRRQWG

9.79

-17.75

-7.96
15 RGGDDsSKRKRRQWG

8.89

-16.66

-7.77
16 HPGDESSKRKRRQWG

9.89

-17.57

-7.68
17 HGGDDsSKEKRRQWG

8.72

-16.33

-7.61
18 HGGDDSSMRKRRQWG

8.48

-15.74

-7.26
19 HGGDDSSKRKRRQKG

9.11

-16.3

-7.19
20 HGGDsSSKRKRRQWG

8.83

-15.89

-7.06
21 HGGDEsSKRKRRQWG

9.35

-16.36

-7.01
22 HGGDESSKEKRRQWG

8.53

-15.43

-6.9
23 HGGDDsSKRKRRQWy

8.68

-15.37

-6.69
24 HRGDDSSKRKRRQWG

9.42

-16.03

-6.61
25 HGGDDSSKEKRRQWG

8.51

-14.58

-6.07
26 HRGDEsSKRKRRQWG

9.19

-15.12

-5.93
27 HGGDssSKRKRRQWG

11.26

-16.47

-5.21
28 HGGDDSSKRKRRQWy

13.21

-17.2

-3.99
29 HRGDDSSKEKRRQWG

9.78

-13.6

-3.82
30 HGGDDsSMRKRRQWG

10.29

-12.2

-1.91

 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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