Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-28.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 10
poly-Ala
A
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 1.692 ΔGbinding 3.889
TOTAL
 5.581
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.530
Van der Waals -5.226 Backbone clash 0.133
Electrostatics 0.372 Helix dipole 0.000
Solvation Polar 5.688 Water bridges -0.010
Solvation Hyd -7.530 Disulfide 0.000
VdW clashes 4.393 Electrost. Kon 0.362
Entropy sc 0.535 Part.cov.bonds 0.000
Entropy mc

4.775

 ΔGstability

40.162
       

Predicted ligand sequences for model [ABP1_1OV32-28.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).
 
  ABP1_1OV32-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRIHRLRRR 0.0
2 RRRIHKLRRR 0.17
3 RRRIHRIRRR 0.17
4 RRRIHPLRRR 0.19
5 RRHIHRLRRR 0.21
6 RRRIHRLKRR 0.27
7 RRKIHRLRRR 0.3
8 RRRIHKIRRR 0.34
9 RRRIPRLRRR 0.34
10 RRRIHPIRRR 0.36
11 RRRIHRLRRM 0.36
12 RRHIHRIRRR 0.38
13 RRHIHKLRRR 0.38
14 RRRIHRLPRR 0.38
15 RRHIHPLRRR 0.4
16 RRRIHKLKRR 0.44
17 RRRIHRIKRR 0.44
18 RRRIHPLKRR 0.46
19 RRRIRRLRRR 0.46
20 RRRIHRFRRR 0.47
21 RRKIHKLRRR 0.47
22 RRKIHRIRRR 0.47
23 RRHIHRLKRR 0.48
24 RRKIHPLRRR 0.49
25 RRRIPRIRRR 0.5
26 RRRIPKLRRR 0.5
27 RRRIPPLRRR 0.52
28 RRRIHKLRRM 0.53
29 RRRIHRIRRM 0.53
30 RRRIHPLRRM 0.55
31 RRHIHKIRRR 0.55
32 RRHIPRLRRR 0.55
33 RRRIHRIPRR 0.55
34 RRRIHKLPRR 0.55
35 RRKIHRLKRR 0.57
36 RRHIHRLRRM 0.57
37 RRRIHPLPRR 0.57
38 RRHIHPIRRR 0.57
39 RRHIHRLPRR 0.59
40 RRRIPRLKRR 0.6
41 RRRIHKIKRR 0.61
42 RRRIRRIRRR 0.62
43 RRRIRKLRRR 0.62
44 RRRIHRLKRM 0.63
45 RRKIPRLRRR 0.63
46 RRRIHPIKRR 0.63
47 RRRIHKFRRR 0.64
48 RRKIHKIRRR 0.64
49 RRRIRPLRRR 0.64
50 RRHIHRIKRR 0.65
51 RRHIHKLKRR 0.65
52 RRKIHPIRRR 0.65
53 RRKIHRLRRM 0.66
54 RRRIHPFRRR 0.66
55 RRHIHPLKRR 0.67
56 RRRIPKIRRR 0.67
57 RRHIRRLRRR 0.67
58 RRKIHRLPRR 0.68
59 RRHIHRFRRR 0.68
60 RRRIPPIRRR 0.69
61 RRRIPRLRRM 0.69
62 RRRIHKIRRM 0.7
63 RRHIPRIRRR 0.71
64 RRRIHPIRRM 0.71
65 RRHIPKLRRR 0.71
66 RRRIPRLPRR 0.72
67 RRRIHKIPRR 0.72
68 RRHIPPLRRR 0.73
69 RRRIRRLKRR 0.73
70 RRRIHPIPRR 0.74
71 RRHIHRIRRM 0.74
72 RRKIHRIKRR 0.74
73 RRKIHKLKRR 0.74
74 RRHIHKLRRM 0.74
75 RRRIHRFKRR 0.74
76 RRRIHRLPRM 0.74
77 RRKIRRLRRR 0.75
78 RRHIHKLPRR 0.76
79 RRHIHRIPRR 0.76
80 RRHIHPLRRM 0.76
81 RRKIHPLKRR 0.76
82 RRRIPRIKRR 0.77
83 RRRIPKLKRR 0.77
84 RRKIHRFRRR 0.77
85 RRHIHPLPRR 0.78
86 RRRIPPLKRR 0.79
87 RRRIRKIRRR 0.79
88 RRRIHKLKRM 0.8
89 RRRIHRIKRM 0.8
90 RRKIPKLRRR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRIPPLRRR

4.07

-12.28

-8.21
2 RRRIPRIRRR

3.72

-11.68

-7.96
3 RRRIPKLRRR

4.14

-11.73

-7.59
4 RRHIHKLRRR

3.2

-10.46

-7.26
5 RRRIRRLRRR

3.16

-10.2

-7.04
6 RRRIHRLKRR

3.66

-10.64

-6.98
7 RRRIHRLRRR

5.39

-12.29

-6.9
8 RRRIHKLRRR

4.39

-11.27

-6.88
9 RRRIHPIRRR

3.51

-10.33

-6.82
10 RRKIHKLRRR

4.35

-11.09

-6.74
11 RRHIHRLKRR

3.86

-10.37

-6.51
12 RRRIHKLKRR

4.19

-10.69

-6.5
13 RRRIHRFRRR

4.3

-10.75

-6.45
14 RRRIHPLKRR

3.34

-9.79

-6.45
15 RRHIHPLRRR

4.48

-10.91

-6.43
16 RRRIPRLRRR

3.51

-9.93

-6.42
17 RRRIHRLPRR

3.49

-9.87

-6.38
18 RRKIHPLRRR

5.41

-11.71

-6.3
19 RRRIHRLRRM

4.12

-10.32

-6.2
20 RRHIHRLRRR

4.62

-10.77

-6.15
21 RRRIHPLRRR

3.29

-9.37

-6.08
22 RRHIHRIRRR

4.34

-10.29

-5.95
23 RRRIHRIKRR

5.03

-10.81

-5.78
24 RRKIHRIRRR

4.2

-9.69

-5.49
25 RRRIHRIRRR

3.87

-9.32

-5.45
26 RRRIHRIRRM

3.83

-9.28

-5.45
27 RRRIHKLRRM

3.88

-8.94

-5.06
28 RRKIHRLRRR

4.07

-9.1

-5.03
29 RRRIHKIRRR

3.7

-7.87

-4.17
30 RRRIHPLRRM

6.79

-10.94

-4.15

 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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