Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-14.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
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 2.179 ΔGbinding 2.474
TOTAL
 4.653
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.247
Van der Waals -3.753 Backbone clash 0.282
Electrostatics 0.170 Helix dipole 0.000
Solvation Polar 4.225 Water bridges 0.014
Solvation Hyd -5.073 Disulfide 0.000
VdW clashes 3.440 Electrost. Kon 0.198
Entropy sc 0.532 Part.cov.bonds 0.000
Entropy mc

3.749

 ΔGstability

21.556
       

Predicted ligand sequences for model [BZZ1-D2_2A28-14.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-D2_2A28-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFMIHKRK 0.0
2 RWFMIHWRK 0.05
3 RWPMIHKRK 0.07
4 RWYMIHKRK 0.07
5 RWFMIHIRK 0.1
6 RWPMIHWRK 0.11
7 RWYMIHWRK 0.12
8 RWPMIHIRK 0.16
9 RPFMIHKRK 0.17
10 RWFMVHKRK 0.17
11 RWYMIHIRK 0.17
12 RWFMLHKRK 0.19
13 RWFMVHWRK 0.21
14 RPFMIHWRK 0.22
15 RWPMVHKRK 0.23
16 RWYMVHKRK 0.24
17 RWFMLHWRK 0.24
18 RPPMIHKRK 0.24
19 RPYMIHKRK 0.25
20 RWPMLHKRK 0.26
21 RWFMVHIRK 0.26
22 RPFMIHIRK 0.27
23 RWYMLHKRK 0.27
24 RWPMVHWRK 0.28
25 RWFMLHIRK 0.29
26 RPPMIHWRK 0.29
27 RWYMVHWRK 0.29
28 RWPMLHWRK 0.3
29 RPYMIHWRK 0.3
30 RWYMLHWRK 0.31
31 RWFWIHKRK 0.32
32 RWPMVHIRK 0.33
33 RPPMIHIRK 0.34
34 RPFMVHKRK 0.34
35 RWYMVHIRK 0.34
36 RWPMLHIRK 0.35
37 RPYMIHIRK 0.35
38 RWYMLHIRK 0.36
39 RPFMLHKRK 0.36
40 RWFWIHWRK 0.37
41 RWPWIHKRK 0.39
42 RPFMVHWRK 0.39
43 RWYWIHKRK 0.4
44 RPPMVHKRK 0.4
45 RPYMVHKRK 0.41
46 RPFMLHWRK 0.41
47 RWFWIHIRK 0.42
48 RWFFIHKRK 0.42
49 RPPMLHKRK 0.43
50 RWPWIHWRK 0.43
51 RPFMVHIRK 0.44
52 RPYMLHKRK 0.44
53 RWYWIHWRK 0.45
54 RPPMVHWRK 0.45
55 RPYMVHWRK 0.46
56 RPFMLHIRK 0.46
57 RWFFIHWRK 0.47
58 RPPMLHWRK 0.48
59 RWPWIHIRK 0.48
60 RWPFIHKRK 0.49
61 RWFWVHKRK 0.49
62 RWYWIHIRK 0.49
63 RPYMLHWRK 0.49
64 RPFWIHKRK 0.5
65 RWYFIHKRK 0.5
66 RPPMVHIRK 0.5
67 RPYMVHIRK 0.51
68 RWFWLHKRK 0.51
69 RWFFIHIRK 0.52
70 RPPMLHIRK 0.53
71 RPYMLHIRK 0.54
72 RWPFIHWRK 0.54
73 RPFWIHWRK 0.54
74 RWFWVHWRK 0.54
75 RWPWVHKRK 0.55
76 RWYFIHWRK 0.55
77 RPPWIHKRK 0.56
78 RWFWLHWRK 0.56
79 RWYWVHKRK 0.56
80 RPYWIHKRK 0.57
81 RWPFIHIRK 0.58
82 RWFWVHIRK 0.58
83 RWPWLHKRK 0.58
84 RPFWIHIRK 0.59
85 RWYFIHIRK 0.59
86 RWYWLHKRK 0.59
87 RWFFVHKRK 0.59
88 RWPWVHWRK 0.6
89 RPFFIHKRK 0.6
90 RWFFLHKRK 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPMIHKRK

2.71

-6.78

-4.07
2 RPYMIHWRK

2.79

-5.92

-3.13
3 RPYMIHKRK

2.88

-5.99

-3.11
4 RPPMIHWRK

2.77

-5.8

-3.03
5 RWYMIHKRK

3.12

-6.1

-2.98
6 RPFMIHKRK

3.5

-6.21

-2.71
7 RWFMVHWRK

2.69

-5.35

-2.66
8 RWFMLHWRK

2.78

-5.41

-2.63
9 RPFMIHWRK

3.58

-6.05

-2.47
10 RPFMIHIRK

3.39

-5.84

-2.45
11 RWPMIHKRK

3.14

-5.57

-2.43
12 RWPMVHKRK

2.73

-5.03

-2.3
13 RWPMIHWRK

2.98

-5.26

-2.28
14 RWFMLHIRK

3.18

-5.25

-2.07
15 RWFMLHKRK

2.64

-4.67

-2.03
16 RWYMVHKRK

2.81

-4.81

-2.0
17 RWPMLHKRK

2.98

-4.77

-1.79
18 RWFMVHKRK

2.93

-4.62

-1.69
19 RWYMLHKRK

3.06

-4.66

-1.6
20 RWYMLHWRK

2.9

-4.36

-1.46
21 RWPMVHWRK

3.03

-4.44

-1.41
22 RWFMVHIRK

3.13

-4.54

-1.41
23 RWPMLHWRK

2.97

-4.38

-1.41
24 RWYMIHWRK

2.77

-4.14

-1.37
25 RWYMVHWRK

2.9

-4.02

-1.12
26 RWFMIHIRK

2.87

-3.94

-1.07
27 RWFMIHWRK

3.28

-4.3

-1.02
28 RWFMIHKRK

2.63

-3.62

-0.99
29 RWPMIHIRK

3.09

-3.8

-0.71
30 RWYMIHIRK

3.82

-3.97

-0.15

 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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