Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala 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 0.547 ΔGbinding -1.868
TOTAL
 -1.321
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.758
Van der Waals -3.510 Backbone clash 0.003
Electrostatics 0.374 Helix dipole 0.000
Solvation Polar 3.811 Water bridges -0.179
Solvation Hyd -4.577 Disulfide 0.000
VdW clashes 0.045 Electrost. Kon 0.431
Entropy sc 0.766 Part.cov.bonds 0.000
Entropy mc

2.763

 ΔGstability

6.432
       

Predicted ligand sequences for model [SHO1_2VKN-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 WDPRFPR 0.0
2 WKPRFPR 0.0
3 WPPRFPR 0.02
4 WKPRPPR 0.02
5 WDPRPPR 0.03
6 WPPRPPR 0.05
7 FKPRFPR 0.06
8 FDPRFPR 0.07
9 WKPRYPR 0.07
10 WDPRYPR 0.08
11 FPPRFPR 0.09
12 FDPRPPR 0.09
13 FKPRPPR 0.09
14 WPPRYPR 0.1
15 FPPRPPR 0.11
16 WKPRFGR 0.14
17 FDPRYPR 0.14
18 FKPRYPR 0.14
19 WKERFPR 0.15
20 WDERFPR 0.15
21 WDPRFGR 0.15
22 FPPRYPR 0.16
23 WDPRPGR 0.17
24 WPPRFGR 0.17
25 WKPRPGR 0.17
26 WKERPPR 0.18
27 WDERPPR 0.18
28 WPERFPR 0.18
29 WPPRPGR 0.19
30 WPERPPR 0.2
31 FKERFPR 0.21
32 FDPRFGR 0.21
33 WDPRFSR 0.21
34 WKPRFSR 0.21
35 FKPRFGR 0.21
36 WDPRYGR 0.22
37 FDERFPR 0.22
38 WKPRYGR 0.22
39 WDERYPR 0.23
40 WPPRFSR 0.23
41 WDPRPSR 0.23
42 WKPRPSR 0.23
43 FDPRPGR 0.23
44 WKERYPR 0.23
45 FKPRPGR 0.23
46 FPPRFGR 0.23
47 WPPRYGR 0.24
48 FDERPPR 0.24
49 FPERFPR 0.24
50 FKERPPR 0.24
51 WPERYPR 0.25
52 WPPRPSR 0.25
53 FPPRPGR 0.25
54 FPERPPR 0.26
55 FDPRFSR 0.27
56 FKPRFSR 0.27
57 WKPRYSR 0.28
58 FDPRYGR 0.28
59 WDPRYSR 0.28
60 FKPRYGR 0.28
61 WKFRFPR 0.29
62 FKERYPR 0.29
63 FDPRPSR 0.29
64 FDERYPR 0.29
65 WDFRFPR 0.29
66 FPPRFSR 0.29
67 FKPRPSR 0.29
68 WKERFGR 0.3
69 FPPRYGR 0.3
70 WPPRYSR 0.3
71 WDERFGR 0.3
72 FPERYPR 0.31
73 WKERPGR 0.32
74 WDFRPPR 0.32
75 WPERFGR 0.32
76 FPPRPSR 0.32
77 WDERPGR 0.32
78 WKFRPPR 0.32
79 WPFRFPR 0.32
80 WPERPGR 0.34
81 FKPRYSR 0.34
82 WPFRPPR 0.34
83 FKFRFPR 0.35
84 FDPRYSR 0.35
85 FDERFGR 0.36
86 FKERFGR 0.36
87 WDERFSR 0.36
88 WKERFSR 0.36
89 FDFRFPR 0.36
90 WDERYGR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPERPPR

2.15

-13.01

-10.86
2 WKPRPPR

2.17

-11.88

-9.71
3 FPPRPPR

2.17

-11.76

-9.59
4 FPPRFPR

1.95

-10.89

-8.94
5 WPPRFPR

2.26

-10.86

-8.6
6 WPPRPPR

2.13

-10.58

-8.45
7 WDERPPR

2.24

-10.52

-8.28
8 FKPRYPR

3.18

-11.4

-8.22
9 WKPRFGR

2.58

-10.75

-8.17
10 WPPRFGR

2.2

-10.36

-8.16
11 WPERFPR

2.23

-10.39

-8.16
12 FKPRPPR

2.51

-10.58

-8.07
13 WDPRPPR

2.14

-10.2

-8.06
14 FPPRYPR

2.47

-10.5

-8.03
15 WPPRYPR

2.37

-10.18

-7.81
16 WKPRYPR

2.75

-10.55

-7.8
17 WPPRPGR

2.24

-10.03

-7.79
18 FDPRFPR

2.39

-10.16

-7.77
19 WKPRPGR

2.32

-10.08

-7.76
20 WKERPPR

2.2

-9.76

-7.56
21 WKPRFPR

2.48

-9.63

-7.15
22 WDPRFGR

2.34

-9.41

-7.07
23 FKPRFPR

2.49

-9.4

-6.91
24 FDPRYPR

2.58

-9.48

-6.9
25 WDPRFPR

2.47

-9.34

-6.87
26 WKERFPR

2.55

-9.12

-6.57
27 WDPRYPR

2.63

-9.08

-6.45
28 FDPRPPR

2.27

-8.7

-6.43
29 WDERFPR

2.54

-8.92

-6.38
30 WDPRPGR

2.22

-7.79

-5.57

 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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