Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-9.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 5.939 ΔGbinding 0.294
TOTAL
 6.233
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.392
Van der Waals -3.914 Backbone clash 1.035
Electrostatics 0.182 Helix dipole 0.000
Solvation Polar 3.980 Water bridges -0.046
Solvation Hyd -5.156 Disulfide 0.000
VdW clashes 2.941 Electrost. Kon 0.185
Entropy sc 0.400 Part.cov.bonds 0.000
Entropy mc

2.606

 ΔGstability

82.732
       

Predicted ligand sequences for model [BZZ1-D1_2A28-9.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).
 
  BZZ1-D1_2A28-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFIPPRW 0.0
2 FRPIPPRW 0.04
3 FRFIPPRF 0.05
4 FRWIPPRW 0.07
5 FRPIPPRF 0.09
6 FRYIPPRW 0.11
7 FRFIPPRY 0.11
8 FRWIPPRF 0.12
9 FRFIPFRW 0.13
10 FRYIPPRF 0.16
11 FRPIPPRY 0.16
12 FRFIPFRF 0.18
13 FRWIPPRY 0.18
14 FRPIPFRW 0.18
15 FRWIPFRW 0.2
16 FRFIPLRW 0.21
17 FRPIPFRF 0.22
18 FRYIPPRY 0.22
19 FRFIPPRP 0.23
20 FRYIPFRW 0.24
21 FRFIPFRY 0.24
22 FRPIPLRW 0.25
23 FRWIPFRF 0.25
24 FRFIPLRF 0.26
25 FRWIPLRW 0.28
26 FRPIPPRP 0.28
27 FRYIPFRF 0.29
28 FRPIPFRY 0.29
29 FRWIPPRP 0.3
30 FRPIPLRF 0.3
31 FRWIPFRY 0.31
32 FRWIPLRF 0.32
33 FRYIPLRW 0.32
34 FRFIPLRY 0.32
35 FRYIPPRP 0.34
36 FRFIPKRW 0.34
37 FRYIPFRY 0.35
38 FRYIPLRF 0.36
39 FRFIPFRP 0.36
40 FRPIPLRY 0.37
41 FRPIPKRW 0.38
42 FRFIPKRF 0.38
43 FRWIPLRY 0.39
44 FRWIPKRW 0.4
45 FRPIPFRP 0.41
46 FRYIPLRY 0.43
47 FRWIPFRP 0.43
48 FRPIPKRF 0.43
49 FRYIPKRW 0.44
50 FRFIPLRP 0.44
51 FRWIPKRF 0.45
52 FRFIPKRY 0.45
53 FRYIPFRP 0.47
54 FRPIPLRP 0.48
55 FRYIPKRF 0.49
56 FRPIPKRY 0.49
57 HRFIPPRW 0.5
58 RRFIPPRW 0.5
59 FRWIPLRP 0.51
60 FRWIPKRY 0.52
61 HRPIPPRW 0.54
62 RRFIPPRF 0.55
63 FRYIPLRP 0.55
64 HRFIPPRF 0.55
65 RRPIPPRW 0.55
66 FRYIPKRY 0.56
67 HRWIPPRW 0.56
68 FRFIPKRP 0.57
69 RRWIPPRW 0.57
70 HRPIPPRF 0.59
71 RRPIPPRF 0.59
72 RRYIPPRW 0.61
73 HRYIPPRW 0.61
74 HRWIPPRF 0.61
75 FRPIPKRP 0.61
76 HRFIPPRY 0.61
77 RRWIPPRF 0.61
78 RRFIPPRY 0.61
79 FRWIPKRP 0.63
80 RRFIPFRW 0.63
81 HRFIPFRW 0.63
82 HRYIPPRF 0.65
83 HRPIPPRY 0.66
84 RRYIPPRF 0.66
85 RRPIPPRY 0.66
86 HRPIPFRW 0.67
87 RRPIPFRW 0.68
88 HRWIPPRY 0.68
89 RRFIPFRF 0.68
90 FRYIPKRP 0.68
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPIPPRF

3.58

-10.71

-7.13
2 FRPIPPRW

2.97

-9.66

-6.69
3 FRFIPLRF

3.69

-10.25

-6.56
4 FRFIPFRF

3.31

-9.82

-6.51
5 FRFIPPRY

3.4

-9.9

-6.5
6 FRYIPPRF

3.04

-9.48

-6.44
7 FRYIPPRY

3.67

-10.1

-6.43
8 FRFIPPRP

5.23

-11.58

-6.35
9 FRPIPFRW

3.31

-9.63

-6.32
10 FRWIPPRW

3.34

-9.51

-6.17
11 FRWIPPRY

3.18

-9.26

-6.08
12 FRFIPFRW

3.5

-9.48

-5.98
13 FRYIPFRW

3.31

-9.29

-5.98
14 FRPIPPRY

3.24

-9.19

-5.95
15 FRPIPFRY

3.75

-9.66

-5.91
16 FRFIPPRF

3.18

-9.06

-5.88
17 FRYIPPRW

3.58

-9.4

-5.82
18 FRPIPLRF

3.27

-8.93

-5.66
19 FRWIPLRW

3.57

-9.19

-5.62
20 FRFIPFRY

3.54

-9.09

-5.55
21 FRWIPPRF

3.36

-8.89

-5.53
22 FRFIPPRW

3.72

-9.19

-5.47
23 FRPIPPRP

4.73

-10.19

-5.46
24 FRWIPFRF

3.05

-8.44

-5.39
25 FRFIPLRW

3.65

-8.98

-5.33
26 FRYIPFRF

3.92

-9.14

-5.22
27 FRWIPPRP

5.2

-10.39

-5.19
28 FRPIPFRF

4.59

-9.66

-5.07
29 FRPIPLRW

3.85

-8.85

-5.0
30 FRWIPFRW

3.33

-8.03

-4.7

 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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