Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-29.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 6.122 ΔGbinding -0.954
TOTAL
 5.168
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.309
Van der Waals -2.652 Backbone clash 0.014
Electrostatics 0.042 Helix dipole 0.000
Solvation Polar 2.883 Water bridges 0.000
Solvation Hyd -3.788 Disulfide 0.000
VdW clashes 0.055 Electrost. Kon 0.090
Entropy sc 0.103 Part.cov.bonds 0.000
Entropy mc

2.005

 ΔGstability

32.016
       

Predicted ligand sequences for model [BUD14_1CKA-29.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_1CKA-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRKWWRKFRK 0.0
2 DRKWWKKFRK 0.01
3 DRKWWRKFRR 0.01
4 KRKWWRKFRK 0.02
5 DRKWWKKFRR 0.03
6 KRKWWKKFRK 0.03
7 DRKWWRKFRH 0.03
8 KRKWWRKFRR 0.03
9 DRKWWRRFRK 0.03
10 ERKWWRKFRK 0.04
11 DRKWWKKFRH 0.04
12 DRKWWKRFRK 0.04
13 KRKWWKKFRR 0.04
14 DRKWWHKFRK 0.04
15 DRKWWRRFRR 0.04
16 ERKWWRKFRR 0.05
17 KRKWWRRFRK 0.05
18 ERKWWKKFRK 0.05
19 DRKFWRKFRK 0.05
20 KRKWWRKFRH 0.05
21 DRKWWHKFRR 0.06
22 KRKWWRRFRR 0.06
23 DRKMWRKFRK 0.06
24 ERKWWKKFRR 0.06
25 KRKWWKRFRK 0.06
26 DRKFWKKFRK 0.06
27 DRKWWKRFRR 0.06
28 KRKWWHKFRK 0.06
29 KRKWWKKFRH 0.06
30 DRKFWRKFRR 0.06
31 DRKWWRPFRK 0.06
32 DRKWWRRFRH 0.06
33 ERKWWRKFRH 0.07
34 KRKFWRKFRK 0.07
35 ERKWWRRFRK 0.07
36 DRKMWRKFRR 0.07
37 DRKWWHRFRK 0.07
38 DRKFWKKFRR 0.07
39 DRKWWKRFRH 0.07
40 DRKWWHKFRH 0.07
41 DRKFWRKFRH 0.07
42 DRKWWKPFRK 0.07
43 DRKWWRPFRR 0.07
44 DRKMWKKFRK 0.07
45 KRKWWRRFRH 0.08
46 KRKFWRKFRR 0.08
47 ERKWWRRFRR 0.08
48 KRKFWKKFRK 0.08
49 KRKWWKRFRR 0.08
50 KRKMWRKFRK 0.08
51 DRKFWRRFRK 0.08
52 ERKWWKRFRK 0.08
53 KRKWWHKFRR 0.08
54 DRKWWKPFRR 0.08
55 KRKWWRPFRK 0.08
56 ERKWWHKFRK 0.08
57 ERKWWKKFRH 0.08
58 DRKFWKRFRK 0.09
59 KRKFWKKFRR 0.09
60 DRKMWRKFRH 0.09
61 DRKWWHRFRR 0.09
62 ERKFWRKFRK 0.09
63 KRKWWKRFRH 0.09
64 DRKMWRRFRK 0.09
65 DRKFWKKFRH 0.09
66 KRKMWRKFRR 0.09
67 DRKFWRRFRR 0.09
68 ERKWWKRFRR 0.09
69 KRKWWHKFRH 0.09
70 KRKWWRPFRR 0.09
71 DRKWWRPFRH 0.09
72 DRKMWKKFRR 0.09
73 ERKWWHKFRR 0.09
74 KRKWWKPFRK 0.09
75 DRKFWHKFRK 0.09
76 DRKFWKRFRR 0.1
77 ERKWWRPFRK 0.1
78 KRKFWRKFRH 0.1
79 ERKWWRRFRH 0.1
80 ERKMWRKFRK 0.1
81 DRKWWHRFRH 0.1
82 ERKFWRKFRR 0.1
83 KRKWWHRFRK 0.1
84 DRKMWRRFRR 0.1
85 DRKWWHPFRK 0.1
86 DRKFWHKFRR 0.1
87 KRKMWKKFRK 0.1
88 KRKWWKPFRR 0.1
89 DRKWWKPFRH 0.1
90 DRKMWKKFRH 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRKWWRKFRH

3.33

-9.59

-6.26
2 DRKWWRRFRK

3.56

-9.8

-6.24
3 ERKWWRKFRR

3.86

-9.96

-6.1
4 DRKFWRKFRK

4.68

-10.75

-6.07
5 DRKWWKKFRK

3.48

-9.51

-6.03
6 DRKWWRKFRR

3.67

-9.54

-5.87
7 DRKWWRKFRK

3.28

-9.13

-5.85
8 DRKWWRRFRR

3.7

-9.51

-5.81
9 ERKWWRKFRK

3.4

-9.2

-5.8
10 KRKWWRKFRR

3.51

-9.3

-5.79
11 DRKWWKKFRH

3.27

-9.05

-5.78
12 KRKWWKRFRK

3.67

-9.43

-5.76
13 DRKWWKRFRK

3.35

-9.09

-5.74
14 KRKWWRRFRR

3.62

-9.32

-5.7
15 KRKWWRKFRK

3.37

-9.07

-5.7
16 DRKWWRKFRH

3.32

-9.02

-5.7
17 KRKWWKKFRH

3.28

-8.95

-5.67
18 KRKWWRRFRK

3.77

-9.42

-5.65
19 KRKWWKKFRR

3.44

-9.03

-5.59
20 DRKMWRKFRK

3.49

-8.91

-5.42
21 ERKWWKKFRR

4.37

-9.44

-5.07
22 KRKWWKKFRK

3.42

-8.2

-4.78
23 DRKFWRKFRR

3.53

-8.3

-4.77
24 DRKFWKKFRK

4.24

-9.01

-4.77
25 DRKWWKKFRR

3.6

-8.33

-4.73
26 DRKWWKRFRR

3.48

-8.16

-4.68
27 DRKWWHKFRK

3.17

-7.72

-4.55
28 KRKWWHKFRK

3.23

-7.36

-4.13
29 ERKWWKKFRK

4.4

-8.45

-4.05
30 DRKWWHKFRR

4.98

-8.01

-3.03

 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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