Predicted ligand
sequences


ADAN-name: 1K9R2.PDB (view again the scoring matrix)

PDB name: [1K9R.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P L P P Y
position 1 2 3 4 5
poly-Ala
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    

(Help)

Intraclash 15.194 ΔGbinding 4.160
TOTAL
19.354
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.898
Van der Waals -4.845 Backbone clash 0.245
Electrostatics 0.081 Helix dipole 0.000
Solvation Polar 4.378 Water bridges -0.030
Solvation Hyd -6.835 Disulfide 0.000
VdW clashes 8.581 Electrost. Kon -0.008
Entropy sc 0.578 Part.cov.bonds 0.000
Entropy mc

1.638

ΔGstability

73.002

       

Predicted ligand sequences for template [1K9R2.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).

 
  1K9R2.PDB  

(data)

# Predicted Sequences Value Calculate
1 GGWDy 0.0
2 GSWDy 0.01
3 sGWDy 0.05
4 PGWDy 0.05
5 PSWDy 0.06
6 sSWDy 0.06
7 GCWDy 0.07
8 sCWDy 0.12
9 PCWDy 0.12
10 GGWPy 0.14
11 GSWPy 0.15
12 GGWpy 0.18
13 sGWPy 0.19
14 PGWPy 0.19
15 GSWpy 0.19
16 sSWPy 0.2
17 PSWPy 0.2
18 GCWPy 0.21
19 GGGDy 0.23
20 PGWpy 0.23
21 sGWpy 0.23
22 GSGDy 0.24
23 sSWpy 0.24
24 PSWpy 0.24
25 GCWpy 0.25
26 sCWPy 0.26
27 PCWPy 0.26
28 GGWDL 0.29
29 sGGDy 0.29
30 PGGDy 0.29
31 sCWpy 0.3
32 GCGDy 0.3
33 sSGDy 0.3
34 PCWpy 0.3
35 GSWDL 0.3
36 PSGDy 0.3
37 sGWDL 0.34
38 PGWDL 0.34
39 PSWDL 0.35
40 PCGDy 0.35
41 sCGDy 0.35
42 sSWDL 0.35
43 GCWDL 0.36
44 GGGPy 0.37
45 GSGPy 0.38
46 GGMDy 0.38
47 GSMDy 0.39
48 PCWDL 0.41
49 GGGpy 0.41
50 sCWDL 0.41
51 GSGpy 0.42
52 sGGPy 0.43
53 PSGPy 0.43
54 sGMDy 0.43
55 GGWPL 0.43
56 PGMDy 0.43
57 PGGPy 0.43
58 sSGPy 0.44
59 GCGPy 0.44
60 sSMDy 0.44
61 GSWPL 0.44
62 PSMDy 0.44
63 GCMDy 0.45
64 PGGpy 0.46
65 GGWpL 0.47
66 sGGpy 0.47
67 PSGpy 0.47
68 sGWPL 0.48
69 PGWPL 0.48
70 GSWpL 0.48
71 sSGpy 0.48
72 GCGpy 0.48
73 sSWPL 0.49
74 PSWPL 0.49
75 sCGPy 0.49
76 PCGPy 0.49
77 PCMDy 0.5
78 GCWPL 0.5
79 sCMDy 0.5
80 GGGDL 0.52
81 GGMPy 0.52
82 PGWpL 0.52
83 sGWpL 0.52
84 GSGDL 0.53
85 GSMPy 0.53
86 PSWpL 0.53
87 sSWpL 0.53
88 sCGpy 0.53
89 GCWpL 0.53
90 PCGpy 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 sGWpy

7.38

-4.94

2.44

2 sGGDy

7.06

-3.89

3.17

3 GCWpy

8.23

-5.05

3.18

4 sSWpy

8.25

-4.98

3.27

5 PGWDy

7.32

-4.05

3.27

6 GCWPy

7.93

-3.95

3.98

7 GSWpy

7.41

-3.23

4.18

8 GGWpy

8.62

-4.41

4.21

9 PSWPy

7.4

-3.15

4.25

10 GCWDy

8.34

-4.02

4.32

11 sCWDy

8.95

-4.46

4.49

12 GSWDy

7.52

-2.8

4.72

13 sSWPy

8.12

-3.3

4.82

14 sGWPy

8.58

-3.29

5.29

15 GGWDL

8.87

-3.56

5.31

16 GGGDy

7.32

-1.96

5.36

17 PCWDy

10.0

-3.92

6.08

18 PCWPy

8.1

-1.7

6.4

19 GSGDy

6.96

-0.51

6.45

20 PSWDy

9.82

-3.24

6.58

21 PGGDy

7.52

-0.94

6.58

22 sGWDy

9.74

-3.11

6.63

23 sSWDy

8.69

-2.04

6.65

24 GGWPy

9.99

-3.32

6.67

25 PGWPy

8.43

-1.67

6.76

26 sCWPy

8.34

-1.56

6.78

27 GSWPy

10.09

-2.69

7.4

28 PGWpy

7.42

0.31

7.73

29 PSWpy

11.03

-3.06

7.97

30 GGWDy

9.33

-1.11

8.22

 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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