Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-5.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 3.559 ΔGbinding -4.557
TOTAL
 -0.998
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 2.361
Van der Waals -5.304 Backbone clash 0.099
Electrostatics -0.171 Helix dipole 0.000
Solvation Polar 4.802 Water bridges 0.000
Solvation Hyd -8.056 Disulfide 0.000
VdW clashes 1.211 Electrost. Kon -0.275
Entropy sc 0.980 Part.cov.bonds 0.000
Entropy mc

2.444

 ΔGstability

16.314
       

Predicted ligand sequences for model [LSB3_1SSH-5.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).
 
  LSB3_1SSH-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRYPFPDHF 0.0
2 KRRYPLPDHF 0.03
3 KRRYPFPPHF 0.09
4 KRRYPLPPHF 0.12
5 KRRYPMPDHF 0.12
6 KRRYRFPDHF 0.14
7 RRRYPFPDHF 0.17
8 KRRYRLPDHF 0.17
9 KRRYPFWDHF 0.19
10 RRRYPLPDHF 0.2
11 KRRYPLWDHF 0.21
12 KRRYPMPPHF 0.21
13 KRRYFFPDHF 0.23
14 KRRYPFYDHF 0.23
15 KRRYRFPPHF 0.24
16 KRRYPLYDHF 0.26
17 KRRYFLPDHF 0.26
18 KRRYRLPPHF 0.26
19 KRRYRMPDHF 0.27
20 RRRYPFPPHF 0.27
21 KRRYPFWPHF 0.28
22 KHRYPFPDHF 0.28
23 RRRYPMPDHF 0.29
24 RRRYPLPPHF 0.29
25 KRRYPLWPHF 0.31
26 KHRYPLPDHF 0.31
27 KRRYPMWDHF 0.31
28 RRRYRFPDHF 0.32
29 KRRYFFPPHF 0.32
30 KRRYPFYPHF 0.32
31 KRRYRFWDHF 0.33
32 RRRYRLPDHF 0.34
33 KRRYPLYPHF 0.35
34 KRRYFLPPHF 0.35
35 KRRYFMPDHF 0.35
36 KRRYPMYDHF 0.35
37 KRRYRMPPHF 0.36
38 KRRYRLWDHF 0.36
39 RRRYPFWDHF 0.36
40 KHRYPFPPHF 0.37
41 KRRYRFYDHF 0.38
42 RRRYPLWDHF 0.39
43 RRRYPMPPHF 0.39
44 KHRYPMPDHF 0.4
45 RRRYPFYDHF 0.4
46 KRRYRLYDHF 0.4
47 KRRYPMWPHF 0.4
48 KHRYPLPPHF 0.4
49 RRRYFFPDHF 0.4
50 RRRYRFPPHF 0.41
51 KRRYFFWDHF 0.42
52 KHRYRFPDHF 0.42
53 RRRYFLPDHF 0.43
54 RRRYPLYDHF 0.43
55 KRRYRFWPHF 0.43
56 KRRYPMYPHF 0.44
57 RRRYRMPDHF 0.44
58 RRRYRLPPHF 0.44
59 KRRYFMPPHF 0.44
60 KHRYRLPDHF 0.45
61 KRRYRLWPHF 0.45
62 RHRYPFPDHF 0.45
63 KRRYFLWDHF 0.45
64 RRRYPFWPHF 0.45
65 KRRYRMWDHF 0.45
66 KRRYFFYDHF 0.46
67 KHRYPFWDHF 0.47
68 KRRYRFYPHF 0.47
69 KRRYPFPHHF 0.48
70 RHRYPLPDHF 0.48
71 RRRYPMWDHF 0.48
72 RRRYPLWPHF 0.48
73 KRRYRLYPHF 0.49
74 KRRYFLYDHF 0.49
75 KHRYPLWDHF 0.49
76 KRRYRMYDHF 0.49
77 KHRYPMPPHF 0.49
78 KRRYPLPHHF 0.5
79 RRRYFFPPHF 0.5
80 RRRYPFYPHF 0.5
81 KHRYFFPDHF 0.51
82 KHRYPFYDHF 0.51
83 RRRYRFWDHF 0.51
84 KRRYFFWPHF 0.51
85 RRRYPMYDHF 0.52
86 RRRYPLYPHF 0.52
87 RRRYFMPDHF 0.52
88 RRRYFLPPHF 0.52
89 KHRYRFPPHF 0.52
90 RRRYRMPPHF 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRYPMPPHF

4.03

-14.71

-10.68
2 RRRYPLPDHF

6.26

-16.71

-10.45
3 KRRYRLPDHF

4.03

-14.31

-10.28
4 KRRYPFYDHF

5.29

-15.34

-10.05
5 KHRYPLPDHF

3.87

-13.81

-9.94
6 RRRYPLPPHF

4.36

-14.21

-9.85
7 KRRYPMWDHF

4.03

-13.87

-9.84
8 RRRYRFPDHF

5.39

-15.05

-9.66
9 KRRYPMPDHF

4.11

-13.76

-9.65
10 KRRYPFPDHF

4.4

-14.04

-9.64
11 RRRYPMPDHF

4.58

-14.06

-9.48
12 KRRYRLPPHF

5.28

-14.73

-9.45
13 RRRYPFPDHF

5.47

-14.88

-9.41
14 KRRYFLPDHF

5.14

-14.51

-9.37
15 KRRYPLPPHF

4.39

-13.6

-9.21
16 KRRYRFPDHF

5.57

-14.76

-9.19
17 KRRYRFPPHF

5.82

-14.8

-8.98
18 KRRYPLPDHF

5.65

-14.54

-8.89
19 KRRYRMPDHF

5.21

-13.75

-8.54
20 KHRYPFPDHF

3.78

-12.29

-8.51
21 KRRYPLYDHF

4.91

-13.39

-8.48
22 KRRYPFPPHF

5.46

-13.94

-8.48
23 RRRYPFPPHF

5.31

-13.69

-8.38
24 KRRYPLWPHF

4.89

-13.23

-8.34
25 KRRYFFPDHF

5.02

-12.62

-7.6
26 KRRYPLWDHF

5.79

-13.32

-7.53
27 KRRYFFPPHF

5.75

-13.25

-7.5
28 KRRYPFWPHF

5.89

-13.15

-7.26
29 KRRYPFWDHF

5.78

-12.57

-6.79
30 KRRYPFYPHF

5.41

-11.67

-6.26

 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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