Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-6.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 0.252 ΔGbinding -1.900
TOTAL
 -1.648
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.093
Van der Waals -3.165 Backbone clash 0.021
Electrostatics 0.297 Helix dipole 0.000
Solvation Polar 2.683 Water bridges -0.044
Solvation Hyd -4.597 Disulfide 0.000
VdW clashes 0.309 Electrost. Kon 0.407
Entropy sc 0.386 Part.cov.bonds 0.000
Entropy mc

2.006

 ΔGstability

9.393
       

Predicted ligand sequences for model [SHO1_2VKN-6.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).
 
  SHO1_2VKN-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRPPRPRR 0.0
2 RRRRPPRHRR 0.08
3 RRRRPPRPPR 0.09
4 RRRRPPRRRR 0.11
5 RKRRPPRPRR 0.14
6 RRRRNPRPRR 0.16
7 RRRRPPRPHR 0.16
8 RRRRPPRHPR 0.17
9 RRRRPPRRPR 0.21
10 RKRRPPRPPR 0.23
11 RKRRPPRHRR 0.23
12 RRRRPPRHHR 0.24
13 RRRRNPRHRR 0.25
14 RRRRNPRPPR 0.26
15 RKRRPPRRRR 0.26
16 RRRRPPRRHR 0.27
17 RRHRPPRPRR 0.28
18 RRRRNPRRRR 0.28
19 RKRRPPRPHR 0.3
20 RRRRPRRPRR 0.3
21 RKRRNPRPRR 0.31
22 RRRRNPRPHR 0.32
23 RKRRPPRHPR 0.32
24 RRIRPPRPRR 0.33
25 RRRRNPRHPR 0.34
26 RKRRPPRRPR 0.35
27 RRHRPPRHRR 0.36
28 RRRRPWRPRR 0.36
29 RRHRPPRPPR 0.37
30 RRRRNPRRPR 0.37
31 RKRRPPRHHR 0.38
32 RRRRPRRHRR 0.38
33 RRHRPPRRRR 0.39
34 RRRRPRRPPR 0.39
35 RKRRNPRHRR 0.39
36 RRRRNPRHHR 0.4
37 RKRRNPRPPR 0.4
38 RKRRPPRRHR 0.41
39 RRRRPRRRRR 0.41
40 RKHRPPRPRR 0.42
41 RRIRPPRPPR 0.42
42 RRIRPPRHRR 0.42
43 RKRRNPRRRR 0.42
44 RRRRNPRRHR 0.43
45 RRHRPPRPHR 0.43
46 RRRRPWRHRR 0.44
47 RKRRPRRPRR 0.44
48 RRHRNPRPRR 0.44
49 RRRRPRRPHR 0.45
50 RRHRPPRHPR 0.45
51 RRRRPWRPPR 0.45
52 RRIRPPRRRR 0.45
53 RKRRNPRPHR 0.46
54 RRRRNRRPRR 0.46
55 RPRRPPRPRR 0.46
56 RRRRPRRHPR 0.47
57 RRRRPWRRRR 0.47
58 RKIRPPRPRR 0.47
59 RRHRPPRRPR 0.48
60 RKRRNPRHPR 0.48
61 RRIRPPRPHR 0.49
62 RRIRNPRPRR 0.49
63 RRRRPRRRPR 0.5
64 RKRRPWRPRR 0.5
65 RKHRPPRHRR 0.5
66 RKRRNPRRPR 0.51
67 RKHRPPRPPR 0.51
68 RRIRPPRHPR 0.51
69 RRRRPWRPHR 0.52
70 RRRRNWRPRR 0.52
71 RRHRNPRHRR 0.52
72 RKRRPRRHRR 0.52
73 RRHRPPRHHR 0.52
74 RKRRPRRPPR 0.53
75 RRHRNPRPPR 0.53
76 RKHRPPRRRR 0.53
77 RRRRPWRHPR 0.53
78 RRRRPRRHHR 0.54
79 RRRRNRRHRR 0.54
80 RPRRPPRHRR 0.54
81 RRIRPPRRPR 0.54
82 RRHRNPRRRR 0.55
83 RRHRPPRRHR 0.55
84 RKRRNPRHHR 0.55
85 RRRRNRRPPR 0.55
86 RPRRPPRPPR 0.55
87 RKRRPRRRRR 0.55
88 RKIRPPRHRR 0.56
89 RRRRPWRRPR 0.56
90 RPRRPPRRRR 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRRPPRPRR

1.78

-15.74

-13.96
2 RKRRPPRHRR

2.31

-15.25

-12.94
3 RRIRPPRPRR

1.88

-14.36

-12.48
4 RRHRPPRHRR

1.77

-14.15

-12.38
5 RRRRPPRRRR

1.96

-13.98

-12.02
6 RKRRPPRPHR

2.16

-14.04

-11.88
7 RKRRPPRHPR

1.53

-13.4

-11.87
8 RRRRPRRPRR

1.71

-13.31

-11.6
9 RKRRPPRRRR

1.91

-13.51

-11.6
10 RRHRPPRPRR

1.63

-13.07

-11.44
11 RRRRPWRPRR

1.91

-13.33

-11.42
12 RRRRPPRRHR

1.75

-13.0

-11.25
13 RRRRPPRHRR

1.73

-12.93

-11.2
14 RRRRPPRPHR

2.51

-13.66

-11.15
15 RRRRPPRHHR

1.99

-13.04

-11.05
16 RKRRPPRRPR

1.91

-12.34

-10.43
17 RRRRPPRHPR

2.38

-12.79

-10.41
18 RRRRPPRRPR

1.56

-11.81

-10.25
19 RRHRPPRPPR

2.15

-12.38

-10.23
20 RRRRPPRPRR

2.31

-12.34

-10.03
21 RRRRPPRPPR

2.11

-11.47

-9.36
22 RRRRNPRRRR

2.76

-11.66

-8.9
23 RKRRNPRPRR

2.51

-11.32

-8.81
24 RKRRPPRPPR

1.96

-10.02

-8.06
25 RRRRNPRHPR

2.63

-10.61

-7.98
26 RRRRNPRHRR

2.74

-10.64

-7.9
27 RRRRNPRRPR

2.7

-10.47

-7.77
28 RRRRNPRPHR

3.48

-11.12

-7.64
29 RRRRNPRPPR

3.4

-10.91

-7.51
30 RRRRNPRPRR

3.31

-10.18

-6.87

 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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