Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-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 4.811 ΔGbinding -0.433
TOTAL
 4.378
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.329
Van der Waals -3.301 Backbone clash 0.005
Electrostatics 0.044 Helix dipole 0.000
Solvation Polar 4.306 Water bridges -0.019
Solvation Hyd -4.834 Disulfide 0.000
VdW clashes 2.687 Electrost. Kon 0.101
Entropy sc 0.556 Part.cov.bonds 0.000
Entropy mc

2.748

 ΔGstability

31.803
       

Predicted ligand sequences for model [BUD14_1CKB-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_1CKB-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKMMHPYRK 0.0
2 RRKKMHPYRK 0.02
3 RRKMMHPYKK 0.03
4 RRKMMHKYRK 0.03
5 RRKKMHKYRK 0.05
6 RRKRMHPYRK 0.05
7 RRKKMHPYKK 0.06
8 RRKMMHRYRK 0.07
9 RRKMMHKYKK 0.07
10 RRKRMHKYRK 0.08
11 KRKMMHPYRK 0.08
12 RRKRMHPYKK 0.09
13 RRKKMHRYRK 0.09
14 RRKKMHKYKK 0.09
15 KRKKMHPYRK 0.1
16 ERKMMHPYRK 0.1
17 RRKMMHRYKK 0.1
18 KRKMMHKYRK 0.11
19 ERKKMHPYRK 0.12
20 RRKKMHRYKK 0.12
21 KRKMMHPYKK 0.12
22 RRKRMHRYRK 0.12
23 RRKRMHKYKK 0.12
24 KRKRMHPYRK 0.13
25 ERKMMHPYKK 0.13
26 ERKMMHKYRK 0.13
27 KRKKMHKYRK 0.13
28 KRKKMHPYKK 0.14
29 ERKRMHPYRK 0.15
30 KRKMMHRYRK 0.15
31 KRKMMHKYKK 0.15
32 RRKRMHRYKK 0.15
33 ERKKMHKYRK 0.15
34 ERKKMHPYKK 0.15
35 ERKMMHKYKK 0.16
36 KRKKMHRYRK 0.17
37 KRKRMHKYRK 0.17
38 ERKMMHRYRK 0.17
39 KRKKMHKYKK 0.17
40 KRKRMHPYKK 0.17
41 ERKRMHKYRK 0.18
42 KRKMMHRYKK 0.18
43 ERKRMHPYKK 0.18
44 ERKKMHKYKK 0.18
45 RRKMMFPYRK 0.19
46 ERKKMHRYRK 0.19
47 ERKMMHRYKK 0.2
48 KRKRMHRYRK 0.2
49 KRKRMHKYKK 0.2
50 RRKKMFPYRK 0.21
51 KRKKMHRYKK 0.21
52 ERKRMHKYKK 0.21
53 RRKMMFKYRK 0.22
54 ERKKMHRYKK 0.22
55 ERKRMHRYRK 0.22
56 RRKMMFPYKK 0.22
57 RRKMMHPRRK 0.23
58 RRKKMFKYRK 0.24
59 RRKRMFPYRK 0.24
60 KRKRMHRYKK 0.24
61 RRKKMFPYKK 0.24
62 RRKMMFKYKK 0.25
63 RRKMMFRYRK 0.25
64 RRKKMHPRRK 0.25
65 ERKRMHRYKK 0.25
66 RRKMMHPRKK 0.26
67 RRKMMHKRRK 0.26
68 RRKRMFPYKK 0.27
69 KRKMMFPYRK 0.27
70 RRKRMFKYRK 0.27
71 RRKKMFKYKK 0.27
72 RRKRMHPRRK 0.28
73 RRKKMHPRKK 0.28
74 RRKMMWPYRK 0.28
75 RRKKMFRYRK 0.28
76 RRKKMHKRRK 0.28
77 ERKMMFPYRK 0.28
78 RRKMMFRYKK 0.29
79 KRKKMFPYRK 0.29
80 RRKMMHKRKK 0.29
81 RRKRMFKYKK 0.3
82 KRKMMFKYRK 0.3
83 ERKKMFPYRK 0.3
84 RRKKMWPYRK 0.3
85 KRKMMFPYKK 0.3
86 RRKMMHRRRK 0.3
87 KRKMMHPRRK 0.31
88 RRKMMWKYRK 0.31
89 ERKMMFKYRK 0.31
90 RRKKMFRYKK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERKRMHPYRK

4.52

-10.75

-6.23
2 RRKKMHPYKK

5.36

-11.0

-5.64
3 KRKRMHPYRK

4.63

-10.24

-5.61
4 ERKKMHPYRK

4.99

-10.01

-5.02
5 KRKKMHPYKK

5.06

-10.05

-4.99
6 RRKMMHPYKK

4.68

-9.57

-4.89
7 RRKRMHKYRK

4.93

-9.68

-4.75
8 RRKRMHKYKK

5.08

-9.76

-4.68
9 RRKRMHPYRK

5.29

-9.94

-4.65
10 KRKKMHPYRK

4.95

-9.59

-4.64
11 RRKKMHPYRK

4.48

-9.12

-4.64
12 RRKRMHPYKK

6.04

-10.63

-4.59
13 KRKMMHPYRK

5.01

-9.6

-4.59
14 KRKMMHKYRK

4.64

-9.22

-4.58
15 RRKRMHRYRK

5.29

-9.69

-4.4
16 RRKMMHPYRK

3.57

-7.96

-4.39
17 RRKKMHRYKK

4.78

-9.14

-4.36
18 KRKMMHPYKK

5.14

-9.46

-4.32
19 ERKMMHPYKK

5.02

-9.28

-4.26
20 KRKMMHRYRK

3.68

-7.9

-4.22
21 RRKKMHRYRK

5.06

-9.28

-4.22
22 RRKMMHKYKK

5.45

-9.64

-4.19
23 RRKMMHKYRK

5.26

-9.41

-4.15
24 RRKMMHRYKK

3.56

-7.68

-4.12
25 RRKKMHKYKK

4.82

-8.93

-4.11
26 RRKMMHRYRK

4.07

-8.16

-4.09
27 KRKKMHKYRK

5.26

-9.13

-3.87
28 ERKMMHKYRK

3.7

-6.92

-3.22
29 ERKMMHPYRK

4.07

-7.04

-2.97
30 RRKKMHKYRK

5.06

-7.46

-2.4

 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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