Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-4.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 2.126 ΔGbinding 9.989
TOTAL
 12.115
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.766
Van der Waals -4.570 Backbone clash 0.001
Electrostatics -0.061 Helix dipole 0.000
Solvation Polar 5.827 Water bridges -0.043
Solvation Hyd -6.668 Disulfide 0.000
VdW clashes 12.860 Electrost. Kon -0.092
Entropy sc 1.491 Part.cov.bonds 0.000
Entropy mc

2.254

 ΔGstability

39.506
       

Predicted ligand sequences for model [BUD14_1GCQ-4.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).
 
  BUD14_1GCQ-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGPRWHPKMW 0.0
2 RGPKWHPKMW 0.01
3 RGPRWHPHMW 0.06
4 RGPKWHPHMW 0.07
5 RGPKWHPKPW 0.09
6 RGPRWHMKMW 0.09
7 RGPRWHPKPW 0.09
8 RGPKWHMKMW 0.09
9 RGRRWHPKMW 0.1
10 RGRKWHPKMW 0.11
11 RGPRRHPKMW 0.12
12 RGPRWRPKMW 0.13
13 RGPKRHPKMW 0.13
14 RGPKWRPKMW 0.14
15 RGPRWHPKKW 0.15
16 RGPKWHPKKW 0.15
17 RGPRWHPHPW 0.15
18 RGPRWHMHMW 0.15
19 RGPKWHPHPW 0.16
20 RGPKWHMHMW 0.16
21 RGRKWHPHMW 0.17
22 RGRRWHPHMW 0.17
23 RGPRWHMKPW 0.17
24 RGPKWHMKPW 0.18
25 RGPKRHPHMW 0.19
26 RGRRWHMKMW 0.19
27 RGPRRHPHMW 0.19
28 RGRRWHPKPW 0.19
29 RGRKWHPKPW 0.2
30 RGPRWRPHMW 0.2
31 RGRKWHMKMW 0.2
32 RGFKWHPKMW 0.2
33 RGFRWHPKMW 0.2
34 RGPKWRPHMW 0.2
35 RGPRRHMKMW 0.21
36 RGPRRHPKPW 0.21
37 RGPRWHPHKW 0.21
38 RGPRWRPKPW 0.22
39 RGPKRHPKPW 0.22
40 RGPKWHPHKW 0.22
41 RGPKRHMKMW 0.22
42 RGPRWRMKMW 0.22
43 RGPKWRMKMW 0.23
44 RGPKWHPRMW 0.23
45 RGRKRHPKMW 0.23
46 RGPRWHPRMW 0.23
47 RGPRWHMKKW 0.23
48 RGRRRHPKMW 0.23
49 RGPKWRPKPW 0.23
50 RGPKWHMKKW 0.24
51 RGPRWHMHPW 0.24
52 RGRRWRPKMW 0.24
53 RGRKWRPKMW 0.24
54 RGPKWHMHPW 0.24
55 RGRRWHPKKW 0.25
56 RGFRWHPHMW 0.26
57 RGRKWHMHMW 0.26
58 RGPKRRPKMW 0.26
59 RGRKWHPKKW 0.26
60 RGRRWHPHPW 0.26
61 RGPRRRPKMW 0.26
62 RGRRWHMHMW 0.26
63 RGRKWHPHPW 0.26
64 RGFKWHPHMW 0.27
65 RGPRRHPKKW 0.27
66 RGPDWHPKMW 0.27
67 RGPRRHPHPW 0.27
68 RGFRWHMKMW 0.28
69 RGRRWHMKPW 0.28
70 RGPRWRPHPW 0.28
71 RGPKRHMHMW 0.28
72 RGFRWHPKPW 0.28
73 RGPRRHMHMW 0.28
74 RGPKRHPHPW 0.28
75 RGPRWRPKKW 0.28
76 RGPKRHPKKW 0.28
77 RGFKWHPKPW 0.29
78 RGRKWHMKPW 0.29
79 RGRRRHPHMW 0.29
80 RGPRWRMHMW 0.29
81 RGPKWRPKKW 0.29
82 RGPKWRMHMW 0.29
83 RGFKWHMKMW 0.29
84 RGPKWRPHPW 0.29
85 RGPKRHMKPW 0.3
86 RGRRWRPHMW 0.3
87 RGPRWHMHKW 0.3
88 RGPRRHMKPW 0.3
89 RGPKWHMHKW 0.3
90 RGRKRHPHMW 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRKWHPKPW

4.57

-6.38

-1.81
2 RGRKWHPKMW

4.48

-6.09

-1.61
3 RGPRRHPKMW

4.57

-5.57

-1.0
4 RGPKWHPHMW

5.03

-5.9

-0.87
5 RGRRWHPKMW

4.38

-5.08

-0.7
6 RGPKWHPHPW

4.44

-5.12

-0.68
7 RGPRWHPKPW

4.62

-5.25

-0.63
8 RGRRWHPKPW

4.49

-5.09

-0.6
9 RGPRWHMKPW

4.58

-4.97

-0.39
10 RGPKWHPKKW

4.96

-5.15

-0.19
11 RGRKWHPHMW

4.56

-4.75

-0.19
12 RGPKRHPKMW

5.45

-5.62

-0.17
13 RGPRWHMHMW

4.89

-5.02

-0.13
14 RGPKWHMKPW

5.03

-5.12

-0.09
15 RGPKRHPHMW

5.13

-5.06

0.07
16 RGPKWHMKMW

5.46

-5.28

0.18
17 RGPRWHPKKW

5.24

-4.83

0.41
18 RGPKWHPKPW

4.8

-4.37

0.43
19 RGPRWHPHMW

5.08

-4.64

0.44
20 RGRRWHMKMW

4.68

-4.19

0.49
21 RGPRWHMKMW

5.49

-4.56

0.93
22 RGPRWHPHPW

5.3

-4.25

1.05
23 RGPRWHPKMW

5.12

-4.02

1.1
24 RGPRWRPKMW

6.0

-4.87

1.13
25 RGRRWHPHMW

5.92

-4.77

1.15
26 RGPRRHPHMW

5.59

-4.31

1.28
27 RGPKWHPKMW

5.09

-3.69

1.4
28 RGPKWRPKMW

5.11

-2.57

2.54
29 RGPRWRPHMW

5.28

-2.05

3.23
30 RGPKWHMHMW

6.68

-1.85

4.83

 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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