Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-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 7.505 ΔGbinding -2.493
TOTAL
 5.012
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.438
Van der Waals -3.665 Backbone clash 0.025
Electrostatics -0.113 Helix dipole 0.000
Solvation Polar 3.768 Water bridges -0.022
Solvation Hyd -5.098 Disulfide 0.000
VdW clashes 0.606 Electrost. Kon -0.202
Entropy sc 0.502 Part.cov.bonds 0.000
Entropy mc

2.568

 ΔGstability

47.185
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-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).
 
  BEM1-D1_JO8-QCF-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRHPRY 0.0
2 FRWRHPRY 0.06
3 KRPRHPRY 0.13
4 FRPIHPRY 0.14
5 FRFRHPRY 0.17
6 KRWRHPRY 0.19
7 FRWIHPRY 0.2
8 FRPRHFRY 0.23
9 FRPRHLRY 0.27
10 KRPIHPRY 0.27
11 FRWRHFRY 0.29
12 KRFRHPRY 0.3
13 FRFIHPRY 0.32
14 FRWRHLRY 0.33
15 KRWIHPRY 0.33
16 KRPRHFRY 0.35
17 FRPRHPRR 0.36
18 FRPIHFRY 0.37
19 FRFRHFRY 0.4
20 KRPRHLRY 0.4
21 FRPIHLRY 0.41
22 FRPMHPRY 0.41
23 KRWRHFRY 0.42
24 FRWIHFRY 0.43
25 FRWRHPRR 0.43
26 KRFIHPRY 0.44
27 FRFRHLRY 0.45
28 KRWRHLRY 0.46
29 FRWMHPRY 0.47
30 FRWIHLRY 0.48
31 KRPRHPRR 0.49
32 KRPIHFRY 0.5
33 FRPIHPRR 0.51
34 KRFRHFRY 0.53
35 KRPMHPRY 0.54
36 FRFRHPRR 0.54
37 KRPIHLRY 0.54
38 FRFIHFRY 0.54
39 KRWRHPRR 0.55
40 KRWIHFRY 0.56
41 FRWIHPRR 0.57
42 KRFRHLRY 0.57
43 FRFMHPRY 0.58
44 FRFIHLRY 0.59
45 FRPRHFRR 0.59
46 KRWIHLRY 0.6
47 KRWMHPRY 0.6
48 FRPMHFRY 0.64
49 FRPRHLRR 0.64
50 KRPIHPRR 0.64
51 FRWRHFRR 0.65
52 KRFIHFRY 0.67
53 KRFRHPRR 0.67
54 FRPMHLRY 0.68
55 FRFIHPRR 0.68
56 FRWRHLRR 0.7
57 KRWIHPRR 0.7
58 FRWMHFRY 0.7
59 KRFIHLRY 0.71
60 KRFMHPRY 0.71
61 KRPRHFRR 0.72
62 FRPIHFRR 0.73
63 FRWMHLRY 0.74
64 KRPRHLRR 0.76
65 KRPMHFRY 0.76
66 FRFRHFRR 0.77
67 FRPIHLRR 0.78
68 KRWRHFRR 0.78
69 FRPMHPRR 0.78
70 FRWIHFRR 0.8
71 KRFIHPRR 0.81
72 KRPMHLRY 0.81
73 FRFRHLRR 0.81
74 FRFMHFRY 0.81
75 KRWRHLRR 0.82
76 KRWMHFRY 0.83
77 FRWIHLRR 0.84
78 FRWMHPRR 0.84
79 KRPIHFRR 0.86
80 FRFMHLRY 0.86
81 KRWMHLRY 0.87
82 KRFRHFRR 0.89
83 KRPMHPRR 0.9
84 KRPIHLRR 0.91
85 FRFIHFRR 0.91
86 KRWIHFRR 0.92
87 KRFRHLRR 0.94
88 KRFMHFRY 0.94
89 FRFMHPRR 0.95
90 FRFIHLRR 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPRHPRR

4.4

-8.83

-4.43
2 FRFIHPRY

6.32

-9.52

-3.2
3 FRWIHPRY

5.67

-8.55

-2.88
4 FRPMHPRY

6.03

-8.51

-2.48
5 KRPIHPRY

6.57

-8.99

-2.42
6 FRPIHPRY

6.74

-8.9

-2.16
7 FRWIHLRY

6.49

-8.32

-1.83
8 KRWIHPRY

6.54

-8.25

-1.71
9 FRWMHPRY

6.8

-8.49

-1.69
10 FRPIHFRY

6.72

-8.41

-1.69
11 FRWIHFRY

6.96

-8.62

-1.66
12 KRFIHPRY

6.54

-8.18

-1.64
13 FRPIHLRY

7.09

-8.66

-1.57
14 FRWRHPRR

7.22

-8.78

-1.56
15 FRPRHPRY

6.72

-8.21

-1.49
16 FRPRHFRY

6.29

-7.58

-1.29
17 FRWRHLRY

6.41

-7.68

-1.27
18 FRFRHPRY

6.96

-8.22

-1.26
19 KRPRHPRY

6.5

-7.75

-1.25
20 FRPRHLRY

6.98

-8.16

-1.18
21 KRWRHLRY

6.3

-7.43

-1.13
22 FRWRHPRY

7.11

-8.18

-1.07
23 FRWRHFRY

6.17

-7.15

-0.98
24 KRPRHFRY

6.16

-7.08

-0.92
25 FRFRHLRY

6.74

-7.48

-0.74
26 KRWRHPRY

7.12

-7.72

-0.6
27 KRWRHFRY

6.74

-7.21

-0.47
28 KRFRHPRY

6.81

-6.53

0.28
29 KRPRHLRY

6.02

-5.72

0.3
30 FRFRHFRY

6.36

-5.7

0.66

 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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