Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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 0.729 ΔGbinding -1.109
TOTAL
 -0.380
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.438
Van der Waals -2.982 Backbone clash 0.070
Electrostatics 0.326 Helix dipole 0.000
Solvation Polar 2.673 Water bridges -0.038
Solvation Hyd -4.333 Disulfide 0.000
VdW clashes 0.010 Electrost. Kon 0.364
Entropy sc 0.053 Part.cov.bonds 0.000
Entropy mc

2.381

 ΔGstability

46.786
       

Predicted ligand sequences for model [BUD14_1SEM-9.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_1SEM-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHYYLLWM 0.0
2 FHYYLLWM 0.03
3 RHYYLMWM 0.06
4 FHYYLMWM 0.1
5 RRYYLLWM 0.1
6 RHYYLLWT 0.13
7 FRYYLLWM 0.14
8 FHYYLLWT 0.17
9 RRYYLMWM 0.17
10 RHYFLLWM 0.19
11 FRYYLMWM 0.2
12 RHYYLMWT 0.2
13 FHYYLMWT 0.23
14 FHYFLLWM 0.23
15 RHYYPLWM 0.24
16 RRYYLLWT 0.24
17 RHYFLMWM 0.26
18 FHYYPLWM 0.27
19 FRYYLLWT 0.27
20 RHYYLLWN 0.29
21 FHYFLMWM 0.29
22 RRYFLLWM 0.3
23 RRYYLMWT 0.3
24 RHYYPMWM 0.3
25 RHYWLLWM 0.32
26 FRYFLLWM 0.33
27 FHYYLLWN 0.33
28 FRYYLMWT 0.33
29 FHYYPMWM 0.33
30 RHYFLLWT 0.33
31 RRYYPLWM 0.34
32 RHYYMLWM 0.34
33 FHYWLLWM 0.35
34 RHYYLMWN 0.36
35 RRYFLMWM 0.36
36 FHYFLLWT 0.36
37 FHYYMLWM 0.37
38 RHYYPLWT 0.37
39 RHFYLLWM 0.37
40 RHYYLPWM 0.38
41 FRYYPLWM 0.38
42 WHYYLLWM 0.38
43 RHYWLMWM 0.38
44 RHYFLMWT 0.39
45 FHYYLMWN 0.39
46 FRYFLMWM 0.39
47 FHYYPLWT 0.4
48 RHYYMMWM 0.4
49 FHFYLLWM 0.4
50 RRYYLLWN 0.4
51 RRYYPMWM 0.4
52 RHWYLLWM 0.41
53 FHYWLMWM 0.41
54 RRYWLLWM 0.42
55 FHYYLPWM 0.42
56 FHYFLMWT 0.42
57 RRYFLLWT 0.43
58 FRYYLLWN 0.43
59 RHYFPLWM 0.43
60 RHFYLMWM 0.43
61 FHYYMMWM 0.43
62 RHYYPMWT 0.43
63 RRYYMLWM 0.44
64 FHWYLLWM 0.44
65 FRYYPMWM 0.44
66 WHYYLMWM 0.44
67 RHYWLLWT 0.45
68 RRYYLMWN 0.46
69 FHYFPLWM 0.46
70 FRYWLLWM 0.46
71 FHYYPMWT 0.47
72 FRYFLLWT 0.47
73 FHFYLMWM 0.47
74 RHWYLMWM 0.47
75 RRFYLLWM 0.47
76 RRYYPLWT 0.47
77 RHYYMLWT 0.47
78 FRYYMLWM 0.47
79 RRYWLMWM 0.48
80 FHYWLLWT 0.49
81 FRYYLMWN 0.49
82 RRYFLMWT 0.49
83 RRYYLPWM 0.49
84 WRYYLLWM 0.49
85 RHYFPMWM 0.49
86 RHYFLLWN 0.49
87 FHYYMLWT 0.5
88 FHWYLMWM 0.5
89 RRYYMMWM 0.5
90 RHFYLLWT 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHYFLMWM

3.05

-8.89

-5.84
2 FRYYLMWT

4.25

-10.01

-5.76
3 FHYYLLWT

3.56

-9.24

-5.68
4 FHYYLLWN

3.71

-9.2

-5.49
5 RRYYLLWT

3.76

-9.22

-5.46
6 FHYYPLWM

3.3

-8.71

-5.41
7 FRYFLLWM

4.61

-9.97

-5.36
8 RRYYLMWM

3.62

-8.9

-5.28
9 RHYYPLWM

2.6

-7.88

-5.28
10 FRYYLLWT

4.12

-9.39

-5.27
11 FHYYLMWT

3.55

-8.8

-5.25
12 RHYYLLWN

2.94

-8.14

-5.2
13 RHYFLMWM

2.76

-7.91

-5.15
14 FHYYPMWM

3.23

-8.33

-5.1
15 FRYYLMWM

4.32

-9.41

-5.09
16 RHYYLLWM

2.93

-8.02

-5.09
17 RRYYLLWM

3.97

-9.0

-5.03
18 FHYYLLWM

3.38

-8.37

-4.99
19 RHYYLMWT

2.9

-7.86

-4.96
20 RHYFLLWT

2.9

-7.86

-4.96
21 FHYFLLWM

3.56

-8.47

-4.91
22 FRYYLLWM

4.53

-9.42

-4.89
23 RHYWLLWM

4.04

-8.92

-4.88
24 RRYYLMWT

4.18

-9.02

-4.84
25 RRYFLLWM

3.86

-8.7

-4.84
26 RHYFLLWM

2.83

-7.51

-4.68
27 RHYYPMWM

2.56

-7.11

-4.55
28 RHYYLMWM

2.87

-7.36

-4.49
29 RHYYLLWT

3.46

-7.92

-4.46
30 FHYYLMWM

4.2

-8.03

-3.83

 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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