Predicted ligand sequences


ADAN-name: 1T083.PDB (view again the scoring matrix)

PDB name: [1T08.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K V R V L L M L R K M G S N L T A S E E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A A A A
A
A
A
A
A
 A
G
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 1.423 ΔGbinding -19.693
TOTAL
 -18.270
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -6.038 Torsional clash 0.301
Van der Waals -8.587 Backbone clash 0.556
Electrostatics -4.180 Helix dipole 0.038
Solvation Polar 8.910 Water bridges -0.838
Solvation Hyd -12.752 Disulfide 0.000
VdW clashes 0.214 Electrost. Kon -1.565
Entropy sc 3.734 Part.cov.bonds 0.000
Entropy mc

1.957

 ΔGstability

-109.452
       

Predicted ligand sequences for template [1T083.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).
 
  1T083.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRYWFRRRLRMGNyQRPSEH 0.0
2 YRYIFRRRLRMGNyQRPSEH 0.03
3 YRYWFRRRLRyGNyQRPSEH 0.04
4 YRYIFRRRLRyGNyQRPSEH 0.07
5 YRYWFGRRLRMGNyQRPSEH 0.08
6 YRYWFRRRLRMGNyQRPSEy 0.09
7 YRYIFGRRLRMGNyQRPSEH 0.1
8 YRYWFRRRLRMGNyQRPSEF 0.1
9 YRYWFKRRLRMGNyQRPSEH 0.11
10 YRYIFRRRLRMGNyQRPSEy 0.12
11 YRYWFGRRLRyGNyQRPSEH 0.12
12 YRYWFRRRLRMGNyQRMSEH 0.12
13 YRYWFRRRLHMGNyQRPSEH 0.13
14 YRYIFRRRLRMGNyQRPSEF 0.13
15 YRYWFRRRLRMGNyQRRSEH 0.13
16 YRYWFRRRLRyGNyQRPSEy 0.13
17 YRYWFRRRLRyGNyQRPSEF 0.14
18 YRYIFKRRLRMGNyQRPSEH 0.14
19 YRYIFRRRLRMGNyQRMSEH 0.14
20 YRYWMRRRLRMGNyQRPSEH 0.14
21 YRYWFKRRLRyGNyQRPSEH 0.15
22 YRYIFRRRLRMGNyQRRSEH 0.15
23 YRYIFGRRLRyGNyQRPSEH 0.15
24 YRYIFRRRLHMGNyQRPSEH 0.15
25 YRYWFRRRLRyGNyQRMSEH 0.16
26 YRYWFRRRLRFGNyQRPSEH 0.16
27 YRYIFRRRLRyGNyQRPSEy 0.16
28 YRYIMRRRLRMGNyQRPSEH 0.16
29 YRYWFRRRLKMGNyQRPSEH 0.16
30 YRYIFRRRLRyGNyQRPSEF 0.17
31 YRYWFRRRLRyGNyQRRSEH 0.17
32 YRYWFGRRLRMGNyQRPSEy 0.17
33 YRYWFRRRLHyGNyQRPSEH 0.17
34 YRYIFRRRLRFGNyQRPSEH 0.18
35 YRYWFGRRLRMGNyQRPSEF 0.18
36 YRYWMRRRLRyGNyQRPSEH 0.18
37 YRYIFKRRLRyGNyQRPSEH 0.18
38 YRYIFRRRLRyGNyQRMSEH 0.19
39 YRYIFGRRLRMGNyQRPSEy 0.19
40 YRYIFRRRLKMGNyQRPSEH 0.19
41 YRYWFRRRLRMGNyQRPTEH 0.19
42 YRYIFGRRLRMGNyQRPSEF 0.2
43 YRYWFGRRLRMGNyQRRSEH 0.2
44 YRYWFGRRLRMGNyQRMSEH 0.2
45 YRYWFKRRLRMGNyQRPSEy 0.2
46 YRYIFRRRLRyGNyQRRSEH 0.2
47 YRYWFRRRLKyGNyQRPSEH 0.2
48 YRYIFRRRLHyGNyQRPSEH 0.2
49 YRYWFGRRLHMGNyQRPSEH 0.21
50 YRYWMGRRLRMGNyQRPSEH 0.21
51 YRYWFKRRLRMGNyQRPSEF 0.21
52 YRYIMRRRLRyGNyQRPSEH 0.21
53 YRYWFGRRLRyGNyQRPSEy 0.21
54 YRYWFRRRLRMGNyQRMSEy 0.21
55 YRYWFRRRLHMGNyQRPSEy 0.22
56 YRYWFRRRLRMGNyQRRSEy 0.22
57 YRYWFGRRLRyGNyQRPSEF 0.22
58 YRYWFRRRLRMGNyQRMSEF 0.22
59 YRYIFRRRLRMGNyQRPTEH 0.22
60 YRYIFGRRLRMGNyQRMSEH 0.22
61 YRYWFRRRLHMGNyQRPSEF 0.23
62 YRYIFGRRLHMGNyQRPSEH 0.23
63 YRYWFRRRLRMGNyQRRSEF 0.23
64 YRYIFGRRLRMGNyQRRSEH 0.23
65 YRYIFKRRLRMGNyQRPSEy 0.23
66 YRYIFRRRLKyGNyQRPSEH 0.23
67 YRYIFRRRLRMGNyQRMSEy 0.23
68 YRYWFGRRLRFGNyQRPSEH 0.23
69 YRYWFRRRLRyGNyQRPTEH 0.23
70 YRYWFKRRLRMGNyQRMSEH 0.23
71 YRYWMRRRLRMGNyQRPSEy 0.23
72 YRYIFKRRLRMGNyQRPSEF 0.24
73 YRYWFKRRLRyGNyQRPSEy 0.24
74 YRYIMGRRLRMGNyQRPSEH 0.24
75 YRYIFRRRLRMGNyQRRSEy 0.24
76 YRYIFGRRLRyGNyQRPSEy 0.24
77 YRYIFRRRLHMGNyQRPSEy 0.24
78 YRYWFKRRLHMGNyQRPSEH 0.24
79 YRYWFKRRLRMGNyQRRSEH 0.24
80 YRYWFGRRLKMGNyQRPSEH 0.24
81 YRYWMRRRLRMGNyQRPSEF 0.24
82 YRYWFGRRLRyGNyQRMSEH 0.24
83 YRYWFRRRLRyGNyQRMSEy 0.25
84 YRYWFRRRLRFGNyQRPSEy 0.25
85 YRYIFRRRLRMGNyQRMSEF 0.25
86 YRYWFKRRLRyGNyQRPSEF 0.25
87 YRYWFRRRLHMGNyQRMSEH 0.25
88 YRYIFRRRLRMGNyQRRSEF 0.25
89 YRYIMRRRLRMGNyQRPSEy 0.25
90 YRYIFGRRLRyGNyQRPSEF 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRYIFRRRLRMGNyQRRSEH

2.69

-18.24

-15.55
2 YRYWMRRRLRMGNyQRPSEH

2.8

-17.31

-14.51
3 YRYIFKRRLRMGNyQRPSEH

3.77

-18.17

-14.4
4 YRYIFRRRLRMGNyQRPSEy

1.4

-15.73

-14.33
5 YRYIFGRRLRMGNyQRPSEH

1.54

-15.44

-13.9
6 YRYIFRRRLRyGNyQRPSEF

1.44

-15.15

-13.71
7 YRYIFRRRLRyGNyQRPSEy

4.33

-15.92

-11.59
8 YRYIMRRRLRMGNyQRPSEH

3.92

-15.42

-11.5
9 YRYWFRRRLRMGNyQRMSEH

11.92

-21.64

-9.72
10 YRYIFGRRLRyGNyQRPSEH

9.02

-16.29

-7.27
11 YRYWFRRRLRyGNyQRMSEH

11.81

-18.34

-6.53
12 YRYIFRRRLRMGNyQRMSEH

12.26

-18.46

-6.2
13 YRYWFRRRLRMGNyQRRSEH

11.74

-17.81

-6.07
14 YRYIFRRRLRyGNyQRPSEH

8.15

-13.81

-5.66
15 YRYIFRRRLRMGNyQRPSEF

11.77

-17.09

-5.32
16 YRYWFKRRLRMGNyQRPSEH

13.57

-17.54

-3.97
17 YRYWFRRRLRyGNyQRPSEy

12.76

-16.24

-3.48
18 YRYWFRRRLRyGNyQRPSEF

14.05

-16.52

-2.47
19 YRYWFRRRLRMGNyQRPSEy

15.48

-17.13

-1.65
20 YRYWFRRRLKMGNyQRPSEH

9.05

-10.18

-1.13
21 YRYIFRRRLHMGNyQRPSEH

14.02

-14.82

-0.8
22 YRYIFRRRLRMGNyQRPSEH

13.67

-13.76

-0.09
23 YRYWFRRRLRMGNyQRPSEF

16.16

-15.63

0.53
24 YRYWFRRRLRyGNyQRPSEH

30.57

-13.73

16.84
25 YRYWFGRRLRMGNyQRPSEH

3.63

13.22

16.85
26 YRYWFGRRLRyGNyQRPSEH

3.0

14.42

17.42
27 YRYWFRRRLRFGNyQRPSEH

9.33

13.23

22.56
28 YRYWFRRRLHMGNyQRPSEH

14.26

13.61

27.87
29 YRYWFRRRLRMGNyQRPSEH

15.7

13.63

29.33
30 YRYWFKRRLRyGNyQRPSEH

16.94

14.89

31.83

 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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