Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-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 5.483 ΔGbinding -2.159
TOTAL
 3.324
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.187
Van der Waals -2.922 Backbone clash 0.001
Electrostatics 0.348 Helix dipole 0.000
Solvation Polar 3.019 Water bridges 0.097
Solvation Hyd -4.001 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon 0.325
Entropy sc 0.427 Part.cov.bonds 0.000
Entropy mc

1.576

 ΔGstability

80.294
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-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).
 
  BZZ1-D1_G2B-ABO-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMDRRPRR 0.0
2 WMPRRPRR 0.02
3 WMKRRPRR 0.05
4 WMDFRPRR 0.12
5 WMPFRPRR 0.14
6 WMKFRPRR 0.16
7 WMDRRKRR 0.16
8 WMPRRKRR 0.19
9 WMKRRKRR 0.21
10 WMDFRKRR 0.28
11 WMDRRRRR 0.29
12 WRDRRPRR 0.29
13 WMPFRKRR 0.3
14 WMPRRRRR 0.31
15 WRPRRPRR 0.32
16 WMKFRKRR 0.33
17 WRKRRPRR 0.34
18 WMDMRPRR 0.34
19 WMKRRRRR 0.34
20 WMPMRPRR 0.36
21 WMKMRPRR 0.38
22 WMDRLPRR 0.4
23 WMDFRRRR 0.4
24 WRDFRPRR 0.41
25 WMPFRRRR 0.43
26 WRPFRPRR 0.43
27 WMPRLPRR 0.43
28 WMKFRRRR 0.45
29 WRKFRPRR 0.45
30 WRDRRKRR 0.45
31 WMKRLPRR 0.45
32 WRPRRKRR 0.48
33 WRKRRKRR 0.5
34 WMDMRKRR 0.5
35 WMDFLPRR 0.52
36 WMPMRKRR 0.53
37 WMPFLPRR 0.54
38 WMKMRKRR 0.55
39 WMKFLPRR 0.57
40 WMDRLKRR 0.57
41 WRDFRKRR 0.57
42 WRDRRRRR 0.58
43 WRPFRKRR 0.59
44 WMPRLKRR 0.59
45 WRPRRRRR 0.6
46 WMKRLKRR 0.61
47 WRKFRKRR 0.62
48 WRKRRRRR 0.63
49 WMDMRRRR 0.63
50 WRDMRPRR 0.63
51 WRPMRPRR 0.65
52 WMPMRRRR 0.65
53 WMKMRRRR 0.67
54 WMDFLKRR 0.68
55 WRKMRPRR 0.68
56 WMDRLRRR 0.69
57 WRDRLPRR 0.69
58 WRDFRRRR 0.69
59 WMPFLKRR 0.71
60 WMPRLRRR 0.72
61 WRPFRRRR 0.72
62 WRPRLPRR 0.72
63 WMKFLKRR 0.73
64 WRKRLPRR 0.74
65 WRKFRRRR 0.74
66 WMDMLPRR 0.74
67 WMKRLRRR 0.74
68 WMPMLPRR 0.76
69 WMKMLPRR 0.79
70 WRDMRKRR 0.79
71 WRDFLPRR 0.81
72 WMDFLRRR 0.81
73 WRPMRKRR 0.82
74 WRPFLPRR 0.83
75 WMPFLRRR 0.83
76 WRKMRKRR 0.84
77 WMKFLRRR 0.85
78 WRKFLPRR 0.86
79 WRDRLKRR 0.86
80 WRPRLKRR 0.88
81 WMDMLKRR 0.9
82 WRKRLKRR 0.91
83 WRDMRRRR 0.92
84 WMPMLKRR 0.93
85 WRPMRRRR 0.94
86 WMKMLKRR 0.95
87 WRKMRRRR 0.96
88 WRDFLKRR 0.97
89 WRDRLRRR 0.98
90 WRPFLKRR 1.0
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WMDMRPRR

3.04

-10.0

-6.96
2 WMPRRKRR

2.74

-9.51

-6.77
3 WMDFRPRR

3.31

-9.72

-6.41
4 WMKRRPRR

3.62

-9.9

-6.28
5 WMDRLPRR

3.53

-9.62

-6.09
6 WMPFRRRR

3.3

-9.38

-6.08
7 WMPRLPRR

3.11

-9.02

-5.91
8 WMPFRKRR

2.81

-8.65

-5.84
9 WMPFRPRR

3.64

-9.45

-5.81
10 WMKFRPRR

2.78

-8.52

-5.74
11 WMDRRKRR

3.74

-9.45

-5.71
12 WMKRRRRR

3.02

-8.7

-5.68
13 WRKFRPRR

3.17

-8.75

-5.58
14 WMKFRKRR

3.06

-8.34

-5.28
15 WMPRRPRR

3.19

-8.46

-5.27
16 WMDRRRRR

3.52

-8.79

-5.27
17 WMDFRRRR

3.82

-9.07

-5.25
18 WRDRRKRR

2.85

-8.06

-5.21
19 WMKMRPRR

3.92

-9.13

-5.21
20 WMKFRRRR

2.73

-7.93

-5.2
21 WRDFRPRR

2.53

-7.72

-5.19
22 WMPMRPRR

3.75

-8.88

-5.13
23 WMDFRKRR

2.81

-7.62

-4.81
24 WRPRRPRR

3.44

-8.17

-4.73
25 WRKRRPRR

3.67

-8.29

-4.62
26 WMDRRPRR

3.06

-7.59

-4.53
27 WMPRRRRR

3.59

-8.04

-4.45
28 WMKRRKRR

3.76

-8.19

-4.43
29 WRDRRPRR

2.67

-6.98

-4.31
30 WRPFRPRR

2.58

-6.85

-4.27

 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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