Predicted ligand sequences


ADAN-name: 1B8Q2.PDB (view again the scoring matrix)

PDB name: [1B8Q.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V V K V D S V
position 1 2 3 4 5 6 7
poly-Ala
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 16.351 ΔGbinding -4.760
TOTAL
 11.591
Backbone Hb -6.830 Cis_bond 0.000
Sidechain Hb -2.290 Torsional clash 0.490
Van der Waals -8.630 Backbone clash 5.440
Electrostatics -1.490 Helix dipole 0.000
Solvation Polar 14.990 Water bridges -0.850
Solvation Hyd -11.100 Disulfide 0.000
VdW clashes 2.760 Electrost. Kon -0.840
Entropy sc 4.600 Part.cov.bonds 0.000
Entropy mc

4.420

 ΔGstability

191.950
       

Predicted ligand sequences for template [1B8Q2.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).
 
  1B8Q2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFDMDV 0.0
2 PRFDMDV 0.03
3 KRFDMDV 0.05
4 RRWDMDV 0.06
5 PRWDMDV 0.09
6 KRWDMDV 0.11
7 RRYDMDV 0.14
8 PRYDMDV 0.17
9 KRYDMDV 0.19
10 RRFDMEV 0.3
11 PRFDMEV 0.33
12 KRFDMEV 0.35
13 RRWDMEV 0.36
14 PRWDMEV 0.39
15 KRWDMEV 0.41
16 RRFAMDV 0.44
17 RRYDMEV 0.44
18 RRFDMPV 0.47
19 PRYDMEV 0.47
20 RKFDMDV 0.47
21 RRFMMDV 0.47
22 PRFAMDV 0.47
23 RRFDFDV 0.48
24 KRFAMDV 0.49
25 KRYDMEV 0.49
26 PKFDMDV 0.5
27 PRFDMPV 0.5
28 PRFMMDV 0.5
29 RRWAMDV 0.5
30 PRFDFDV 0.51
31 KRFMMDV 0.52
32 KRFDMPV 0.52
33 KKFDMDV 0.52
34 RKWDMDV 0.53
35 KRFDFDV 0.53
36 PRWAMDV 0.53
37 RRWMMDV 0.53
38 RRWDMPV 0.53
39 RRWDFDV 0.54
40 KRWAMDV 0.55
41 PRWDMPV 0.56
42 PKWDMDV 0.56
43 PRWMMDV 0.56
44 PRWDFDV 0.57
45 RRYAMDV 0.58
46 KRWDMPV 0.58
47 KKWDMDV 0.58
48 KRWMMDV 0.58
49 KRWDFDV 0.59
50 RRYDMPV 0.61
51 PRYAMDV 0.61
52 RRYMMDV 0.61
53 RKYDMDV 0.61
54 RRYDFDV 0.62
55 KRYAMDV 0.63
56 PRYMMDV 0.64
57 PRYDMPV 0.64
58 PKYDMDV 0.64
59 PRYDFDV 0.65
60 KKYDMDV 0.66
61 KRYDMPV 0.66
62 KRYMMDV 0.66
63 KRYDFDV 0.67
64 RRFAMEV 0.73
65 RKFDMEV 0.76
66 PRFAMEV 0.76
67 RRFMMEV 0.77
68 RRFDFEV 0.77
69 KRFAMEV 0.78
70 PKFDMEV 0.79
71 PRFMMEV 0.8
72 RRWAMEV 0.8
73 PRFDFEV 0.8
74 KKFDMEV 0.81
75 KRFDFEV 0.82
76 KRFMMEV 0.82
77 PRWAMEV 0.83
78 RRWMMEV 0.83
79 RKWDMEV 0.83
80 RRWDFEV 0.84
81 KRWAMEV 0.85
82 PKWDMEV 0.86
83 PRWMMEV 0.86
84 RRYAMEV 0.87
85 PRWDFEV 0.87
86 KKWDMEV 0.88
87 KRWMMEV 0.88
88 KRWDFEV 0.89
89 RRFAMPV 0.9
90 PRYAMEV 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRYDMEV

15.97

-9.92

6.05
2 PRYDMEV

13.07

-6.93

6.14
3 PRWDMDV

15.75

-9.34

6.41
4 PRWDMEV

15.6

-9.17

6.43
5 PRFDFDV

15.66

-9.21

6.45
6 RKFDMDV

16.16

-9.68

6.48
7 RRFDFDV

16.04

-9.55

6.49
8 KRYDMDV

15.91

-9.41

6.5
9 RRFAMDV

16.44

-9.73

6.71
10 PRFDMPV

15.85

-8.46

7.39
11 RRFDMDV

15.29

-7.79

7.5
12 RRFDMPV

16.05

-8.54

7.51
13 PRYDMDV

16.84

-8.99

7.85
14 PKFDMDV

15.55

-7.3

8.25
15 KRFDMEV

15.83

-7.48

8.35
16 KRWDMEV

15.76

-7.17

8.59
17 RRWAMDV

15.43

-6.66

8.77
18 PRFDMEV

16.98

-7.59

9.39
19 RRWDMDV

16.71

-6.66

10.05
20 KRFAMDV

19.38

-9.15

10.23
21 RRYDMDV

17.35

-6.95

10.4
22 RRWDMEV

17.11

-6.69

10.42
23 RRYDMEV

18.63

-8.18

10.45
24 PRFAMDV

19.18

-8.61

10.57
25 PRFMMDV

19.18

-8.56

10.62
26 PRFDMDV

18.9

-7.35

11.55
27 KRFDMDV

18.38

-6.82

11.56
28 RRFMMDV

19.85

-8.26

11.59
29 RRFDMEV

19.64

-7.86

11.78
30 KRWDMDV

19.66

-7.64

12.02

 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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