Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-7.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
G
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 5.141 ΔGbinding -0.633
TOTAL
 4.508
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.275
Van der Waals -2.807 Backbone clash 0.064
Electrostatics 0.053 Helix dipole 0.000
Solvation Polar 3.190 Water bridges -0.000
Solvation Hyd -3.963 Disulfide 0.000
VdW clashes 2.038 Electrost. Kon 0.034
Entropy sc 0.468 Part.cov.bonds 0.000
Entropy mc

1.352

 ΔGstability

29.582
       

Predicted ligand sequences for model [HSE1_1SEM-7.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).
 
  HSE1_1SEM-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 IDPRSPKY 0.0
2 IDPRHPKY 0.01
3 IDRRSPKY 0.03
4 IDRRHPKY 0.04
5 IDPRSPKW 0.06
6 IDPRHPKW 0.07
7 IDRRSPKW 0.09
8 IDRRHPKW 0.1
9 IDHRSPKY 0.1
10 IDHRHPKY 0.11
11 MDPRSPKY 0.15
12 MDPRHPKY 0.16
13 IDHRSPKW 0.16
14 IDPRSPRY 0.17
15 IDHRHPKW 0.17
16 IDPRHPRY 0.18
17 MDRRSPKY 0.18
18 MDRRHPKY 0.19
19 IDRRSPRY 0.2
20 IDRRHPRY 0.21
21 MDPRSPKW 0.21
22 IDPRSPKF 0.22
23 MDPRHPKW 0.22
24 IDPRSPRW 0.23
25 IDPRHPRW 0.24
26 MDRRSPKW 0.24
27 IDPRHPKF 0.24
28 MDHRSPKY 0.24
29 MDRRHPKW 0.25
30 IDRRSPKF 0.26
31 IDRRSPRW 0.26
32 MDHRHPKY 0.26
33 IDRRHPKF 0.27
34 IDRRHPRW 0.27
35 IDHRSPRY 0.27
36 IDPRSKKY 0.28
37 IDHRHPRY 0.28
38 IDPRHKKY 0.29
39 MDHRSPKW 0.3
40 IDRRSKKY 0.31
41 MDPRSPRY 0.31
42 IDRRHKKY 0.32
43 IDHRSPKF 0.32
44 MDHRHPKW 0.32
45 MDPRHPRY 0.33
46 IDHRSPRW 0.33
47 IDHRHPRW 0.34
48 IDPRSKKW 0.34
49 IDHRHPKF 0.34
50 MDRRSPRY 0.34
51 IDPRHKKW 0.35
52 IDPRSHKY 0.36
53 MDRRHPRY 0.36
54 IDRRSKKW 0.37
55 IDPRHHKY 0.37
56 MDPRSPRW 0.37
57 MDPRSPKF 0.37
58 MDPRHPKF 0.38
59 IDRRHKKW 0.38
60 IDHRSKKY 0.38
61 IDPRQPKY 0.39
62 IDRRSHKY 0.39
63 IDHRHKKY 0.39
64 MDPRHPRW 0.39
65 IDPRSPRF 0.39
66 IDRRHHKY 0.4
67 MDRRSPKF 0.4
68 MDRRSPRW 0.4
69 IDPRHPRF 0.4
70 MDHRSPRY 0.41
71 MDRRHPKF 0.41
72 IDRRQPKY 0.42
73 MDPRSKKY 0.42
74 IDPRSHKW 0.42
75 IDRRSPRF 0.42
76 MDHRHPRY 0.42
77 MDRRHPRW 0.42
78 MDPRHKKY 0.43
79 IDPRHHKW 0.43
80 IDRRHPRF 0.43
81 IDHRSKKW 0.43
82 IDPRSKRY 0.44
83 IDPRQPKW 0.45
84 IDRRSHKW 0.45
85 IDHRHKKW 0.45
86 MDRRSKKY 0.45
87 IDRRHHKW 0.46
88 IDHRSHKY 0.46
89 IDPRHKRY 0.46
90 MDHRSPRW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDPRSPKY

2.56

-9.03

-6.47
2 IDPRHPRY

4.3

-10.54

-6.24
3 IDPRSPRY

3.08

-9.13

-6.05
4 MDRRSPKY

2.58

-8.32

-5.74
5 MDPRHPKW

3.09

-8.75

-5.66
6 MDRRSPKW

2.6

-8.15

-5.55
7 IDRRHPRY

3.99

-9.43

-5.44
8 MDRRHPKY

2.98

-8.39

-5.41
9 MDPRHPKY

3.34

-8.65

-5.31
10 IDPRHPRW

3.69

-8.72

-5.03
11 IDHRSPKY

2.45

-7.43

-4.98
12 MDRRHPKW

3.4

-7.95

-4.55
13 IDPRSPKF

3.46

-8.0

-4.54
14 IDPRHPKW

3.1

-7.43

-4.33
15 IDPRSPRW

2.96

-7.26

-4.3
16 IDRRSPRY

3.51

-7.79

-4.28
17 IDRRHPKY

3.32

-7.55

-4.23
18 MDPRSPKW

2.65

-6.83

-4.18
19 IDRRSPKY

2.61

-6.52

-3.91
20 IDRRHPKW

4.28

-8.19

-3.91
21 IDPRHPKF

3.4

-7.25

-3.85
22 IDPRHPKY

3.78

-7.61

-3.83
23 IDRRSPKF

2.53

-6.1

-3.57
24 IDHRHPKY

3.86

-7.4

-3.54
25 IDPRSPKW

2.71

-6.25

-3.54
26 IDPRSPKY

4.0

-7.37

-3.37
27 IDHRHPKW

3.17

-6.49

-3.32
28 MDHRSPKY

2.45

-5.06

-2.61
29 IDRRSPKW

3.74

-6.26

-2.52
30 IDHRSPKW

2.55

-4.5

-1.95

 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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