Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-28.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 11.754 ΔGbinding 2.630
TOTAL
 14.384
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.234
Van der Waals -4.107 Backbone clash 0.114
Electrostatics 0.338 Helix dipole 0.000
Solvation Polar 6.319 Water bridges -0.008
Solvation Hyd -5.869 Disulfide 0.000
VdW clashes 2.887 Electrost. Kon 0.388
Entropy sc 0.561 Part.cov.bonds 0.000
Entropy mc

3.662

 ΔGstability

42.230
       

Predicted ligand sequences for model [BUD14_1CKA-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKYMPPRKRM 0.0
2 RKWMPPRKRM 0.01
3 RKYMPRRKRM 0.03
4 RKWMPRRKRM 0.04
5 RKYMPPWKRM 0.04
6 RKYYPPRKRM 0.04
7 RKWYPPRKRM 0.06
8 RKYMPPRRRM 0.06
9 RKWMPPWKRM 0.06
10 RKYYPRRKRM 0.07
11 RKYMPRWKRM 0.07
12 RKWMPRWKRM 0.08
13 RKWYPRRKRM 0.08
14 RKWMPPRRRM 0.08
15 RKYYPPWKRM 0.08
16 RKYMPPRPRM 0.09
17 RKYMPRRRRM 0.09
18 RKWMPPRPRM 0.1
19 RKYMPPWRRM 0.1
20 RKYYPPRRRM 0.1
21 RKWYPPWKRM 0.1
22 RKWMPRRRRM 0.11
23 RKYYPRWKRM 0.11
24 RKWMPPWRRM 0.12
25 RKWYPPRRRM 0.12
26 RKYMPRRPRM 0.12
27 RKYMPPWPRM 0.13
28 RKYYPRRRRM 0.13
29 RKWMPRRPRM 0.13
30 RKWYPRWKRM 0.13
31 RKYYPPRPRM 0.13
32 RKYMPRWRRM 0.13
33 RKWYPPRPRM 0.14
34 RKWMPPWPRM 0.14
35 RKYMPKRKRM 0.14
36 RKWYPRRRRM 0.15
37 RKWMPRWRRM 0.15
38 RKYYPPWRRM 0.15
39 RKYMPRWPRM 0.16
40 RKWYPPWRRM 0.16
41 RKWMPKRKRM 0.16
42 RKYYPRRPRM 0.16
43 RKWYPRRPRM 0.17
44 RKYYPPWPRM 0.17
45 RKWMPRWPRM 0.17
46 RKYYPRWRRM 0.18
47 RKWYPPWPRM 0.18
48 RKWYPRWRRM 0.19
49 RKYMPKWKRM 0.19
50 RKYYPKRKRM 0.19
51 RKWYPKRKRM 0.2
52 RKYYPRWPRM 0.2
53 RKWMPKWKRM 0.2
54 RKRMPPRKRM 0.21
55 RKYMPKRRRM 0.21
56 RKWYPRWPRM 0.21
57 RKWMPKRRRM 0.22
58 RKYYPKWKRM 0.23
59 RKYMPKRPRM 0.23
60 RKRMPRRKRM 0.24
61 RKYWPPRKRM 0.24
62 RKWYPKWKRM 0.24
63 RKWMPKRPRM 0.24
64 RKYYPKRRRM 0.25
65 RKRMPPWKRM 0.25
66 RKWWPPRKRM 0.25
67 RKRYPPRKRM 0.25
68 RKYMPKWRRM 0.25
69 RKWMPKWRRM 0.26
70 RKWYPKRRRM 0.26
71 RKYWPRRKRM 0.27
72 RKYMPKWPRM 0.27
73 RKYYPKRPRM 0.27
74 RKRMPPRRRM 0.27
75 RKWWPRRKRM 0.28
76 RKRMPRWKRM 0.28
77 RKYWPPWKRM 0.28
78 RKRYPRRKRM 0.28
79 RKYYPKWRRM 0.29
80 RKWWPPWKRM 0.29
81 RKRYPPWKRM 0.29
82 RKWYPKRPRM 0.29
83 RKWMPKWPRM 0.29
84 RKRMPRRRRM 0.3
85 RKRMPPRPRM 0.3
86 RKWYPKWRRM 0.3
87 RKYWPPRRRM 0.3
88 RKRMPPWRRM 0.31
89 RKWWPPRRRM 0.31
90 RKYYPKWPRM 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKYYPPWKRM

3.82

-9.36

-5.54
2 RKYMPPRRRM

3.43

-8.68

-5.25
3 RKYYPRWKRM

3.41

-8.58

-5.17
4 RKYYPRRRRM

3.48

-8.63

-5.15
5 RKYMPPWKRM

3.31

-8.33

-5.02
6 RKWMPRWKRM

3.89

-8.84

-4.95
7 RKWMPPRRRM

2.81

-7.67

-4.86
8 RKWMPPWKRM

3.14

-7.75

-4.61
9 RKYMPPRKRM

3.52

-8.04

-4.52
10 RKYMPRRRRM

3.06

-7.43

-4.37
11 RKWMPPWRRM

2.62

-6.96

-4.34
12 RKYMPPWRRM

3.31

-7.59

-4.28
13 RKYYPPRRRM

3.18

-7.23

-4.05
14 RKWMPRRKRM

3.87

-7.92

-4.05
15 RKYMPRRKRM

3.55

-7.57

-4.02
16 RKYMPRRPRM

4.59

-8.48

-3.89
17 RKWMPPRKRM

3.87

-7.76

-3.89
18 RKWYPPRKRM

2.99

-6.5

-3.51
19 RKYYPPRKRM

3.48

-6.96

-3.48
20 RKWMPRRRRM

4.0

-7.35

-3.35
21 RKWMPRRPRM

3.66

-6.9

-3.24
22 RKWMPPRPRM

3.35

-6.55

-3.2
23 RKWYPRRKRM

3.77

-6.93

-3.16
24 RKWYPPWKRM

3.19

-6.08

-2.89
25 RKWYPRWKRM

4.87

-7.72

-2.85
26 RKYYPRRKRM

3.76

-6.55

-2.79
27 RKYMPPWPRM

5.33

-8.1

-2.77
28 RKWYPPRRRM

4.5

-7.24

-2.74
29 RKYMPRWKRM

3.33

-6.0

-2.67
30 RKYMPPRPRM

4.53

-6.67

-2.14

 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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