Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-2.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 1.969 ΔGbinding 3.582
TOTAL
 5.551
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.899
Van der Waals -5.457 Backbone clash 0.012
Electrostatics -0.324 Helix dipole 0.000
Solvation Polar 5.951 Water bridges 0.000
Solvation Hyd -7.818 Disulfide 0.000
VdW clashes 8.469 Electrost. Kon -0.424
Entropy sc 0.819 Part.cov.bonds 0.000
Entropy mc

2.741

 ΔGstability

53.846
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-2.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_G2B-ABO-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 VPRHKFRDRW 0.0
2 VPRHKFRDRR 0.0
3 VPKHKFRDRW 0.02
4 VPKHKFRDRR 0.02
5 VPRHRFRDRR 0.03
6 VPRHRFRDRW 0.03
7 VPKHRFRDRW 0.05
8 VPKHRFRDRR 0.05
9 VPRHPFRDRW 0.06
10 VPRHPFRDRR 0.06
11 VPRHKFRHRR 0.08
12 VPKHPFRDRW 0.08
13 VPKHPFRDRR 0.08
14 VPRHKFRDMW 0.09
15 VPRHKFRDMR 0.09
16 VPRHKFRHRW 0.09
17 VPKHKFRDMW 0.11
18 VPKHKFRDMR 0.11
19 VPRHRFRHRW 0.11
20 VPRHRFRHRR 0.11
21 VPRHRFRDMW 0.11
22 VPRHRFRDMR 0.11
23 VPKHKFRHRW 0.11
24 VPKHKFRHRR 0.11
25 VPRHKFRPRR 0.11
26 VPRHKFRPRW 0.11
27 VPKHRFRHRR 0.13
28 VPKHRFRHRW 0.13
29 VPKHKFRPRR 0.13
30 VPKHRFRDMW 0.13
31 VPKHRFRDMR 0.13
32 VPRHRFRPRW 0.14
33 VPRHRFRPRR 0.14
34 VPKHKFRPRW 0.14
35 VPRHPFRDMW 0.15
36 VPRHPFRDMR 0.15
37 VPRHPFRHRR 0.15
38 VPRHPFRHRW 0.15
39 VPKHRFRPRR 0.16
40 VPKHRFRPRW 0.16
41 VPKHPFRHRR 0.17
42 VPKHPFRHRW 0.17
43 VPRHKFRHMR 0.17
44 VPRHKFRHMW 0.17
45 VPKHPFRDMR 0.17
46 VPKHPFRDMW 0.17
47 VPRHPFRPRR 0.17
48 VPRHPFRPRW 0.18
49 FPRHKFRDRW 0.19
50 FPRHKFRDRR 0.19
51 VPKHKFRHMR 0.19
52 VPKHKFRHMW 0.19
53 VPRHKFRPMR 0.2
54 VPRHKFRPMW 0.2
55 VPKHPFRPRR 0.2
56 VPKHPFRPRW 0.2
57 VPRHRFRHMR 0.2
58 VPRHRFRHMW 0.2
59 FPKHKFRDRR 0.21
60 FPKHKFRDRW 0.21
61 FPRHRFRDRR 0.21
62 FPRHRFRDRW 0.21
63 VLRHKFRDRR 0.21
64 VPKHRFRHMR 0.22
65 VPKHRFRHMW 0.22
66 VPKHKFRPMR 0.22
67 VPKHKFRPMW 0.22
68 VLRHKFRDRW 0.22
69 VPRHRFRPMR 0.23
70 VPRHRFRPMW 0.23
71 VPRHPFRHMR 0.23
72 VPRHPFRHMW 0.23
73 FPKHRFRDRW 0.23
74 FPKHRFRDRR 0.23
75 VLRHRFRDRW 0.24
76 VLRHRFRDRR 0.24
77 VLKHKFRDRW 0.24
78 VLKHKFRDRR 0.24
79 VPKHPFRHMW 0.25
80 VPKHPFRHMR 0.25
81 FPRHPFRDRR 0.25
82 FPRHPFRDRW 0.25
83 VPKHRFRPMR 0.25
84 VPKHRFRPMW 0.25
85 VLKHRFRDRR 0.26
86 VLKHRFRDRW 0.26
87 VPRHPFRPMR 0.26
88 VPRHPFRPMW 0.26
89 FPRHKFRHRR 0.27
90 VPRRKFRDRR 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 VPRHRFRDMW

4.39

-9.84

-5.45
2 VPKHKFRDMR

4.39

-9.05

-4.66
3 VPRHRFRDRR

4.67

-9.25

-4.58
4 VPRHRFRDMR

4.31

-8.79

-4.48
5 VPRHPFRDRR

5.06

-9.23

-4.17
6 VPRHKFRDRW

3.95

-7.97

-4.02
7 VPRHRFRHRR

4.32

-8.19

-3.87
8 VPKHRFRHRR

4.14

-8.0

-3.86
9 VPRHKFRPRR

4.96

-8.75

-3.79
10 VPKHPFRDRW

4.21

-7.92

-3.71
11 VPKHPFRDRR

5.05

-8.75

-3.7
12 VPRHKFRDMW

4.76

-8.31

-3.55
13 VPRHKFRDMR

5.13

-8.56

-3.43
14 VPKHRFRDRR

4.2

-7.61

-3.41
15 VPRHPFRDRW

5.06

-8.4

-3.34
16 VPRHKFRHRW

4.76

-8.06

-3.3
17 VPRHKFRDRR

4.29

-7.57

-3.28
18 VPKHKFRDMW

4.43

-7.46

-3.03
19 VPRHKFRHRR

4.99

-8.02

-3.03
20 VPKHKFRDRW

4.36

-7.35

-2.99
21 VPRHKFRPRW

4.61

-7.46

-2.85
22 VPKHKFRPRR

4.23

-7.04

-2.81
23 VPKHRFRHRW

5.46

-8.19

-2.73
24 VPRHRFRHRW

4.89

-7.61

-2.72
25 VPRHRFRDRW

4.73

-7.38

-2.65
26 VPKHKFRDRR

5.01

-7.64

-2.63
27 VPKHKFRHRR

5.23

-7.83

-2.6
28 VPKHRFRDMW

4.14

-6.65

-2.51
29 VPKHKFRHRW

4.33

-6.51

-2.18
30 VPKHRFRDRW

4.34

-5.82

-1.48

 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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