Predicted ligand sequences


ADAN-name: 2TRC2.PDB (view again the scoring matrix)

PDB name: [2TRC.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E G Q A T H T G P K G V I N D W R K F K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
G
A
A
A
A
A
 G
A
A
G
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 7.252 ΔGbinding -33.179
TOTAL
 -25.927
Backbone Hb -5.287 Cis_bond 0.000
Sidechain Hb -11.313 Torsional clash 1.433
Van der Waals -16.788 Backbone clash 1.138
Electrostatics -7.700 Helix dipole -0.042
Solvation Polar 22.474 Water bridges -0.185
Solvation Hyd -24.311 Disulfide 0.000
VdW clashes 2.009 Electrost. Kon -3.167
Entropy sc 6.539 Part.cov.bonds 0.000
Entropy mc

3.158

 ΔGstability

84.866
       

Predicted ligand sequences for template [2TRC2.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).
 
  2TRC2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRKSHRRQPRGVKRyFHRFN 0.0
2 KRKSHRRQPRGVKRyFHRFH 0.02
3 KRKSHRRQPRGVKRyFRRFN 0.04
4 KRKSHRRQPRGVKRyFHRFG 0.04
5 KRKSHRRQPRGVKRyFRRFH 0.06
6 KRKSHRRQPRGVKHyFHRFN 0.07
7 KRKSHRRQPRGVKRyFRRFG 0.07
8 KRKSHRRQPRGVKHyFHRFH 0.09
9 KRKSHRRQPRGVKRyFKRFN 0.09
10 KRKSHRRQPRGVKHyFHRFG 0.1
11 KRKSHRRQPRGVKHyFRRFN 0.1
12 KRKSHRRQPRGVKRyFKRFH 0.11
13 KRKSHRRQPRGVKRyFHSFN 0.12
14 KRKSHRKQPRGVKRyFHRFN 0.12
15 KRKSHRRQPRGVKHyFRRFH 0.12
16 KRKSHRRQPRGVKRyFKRFG 0.13
17 KRKSHRRQPRGVKRyFHTFN 0.13
18 KRKSHRRQPRGVKRyFHSFH 0.14
19 KRKSHRRQPRGVKKyFHRFN 0.14
20 KRKSHRRQPRGVKRyWHRFN 0.14
21 KRKSHRKQPRGVKRyFHRFH 0.14
22 KRKSHRRQPRGVKHyFRRFG 0.14
23 KRKSHRKQPRGVKRyFRRFN 0.15
24 KRKSHRKQPRGVKRyFHRFG 0.15
25 KRKSHRRQPRGVKRyFHTFH 0.15
26 KRKSHRRQPRGVKRyFHSFG 0.16
27 KRKSHRRQPRGVKKyFHRFH 0.16
28 KRKSHRRQPRGVKHyFKRFN 0.16
29 KRKSHRRQPRGVKRyFRSFN 0.16
30 KRKSHRRQPRGVKRyFRTFN 0.17
31 KRKSHRKQPRGVKRyFRRFH 0.17
32 KRKSHRRQPRGVKRyWHRFH 0.17
33 KRKSHRRQPRGVKRyFHTFG 0.17
34 KRKSHRRQPRGVKKyFRRFN 0.17
35 KRKSHRRQPRGVKRyWRRFN 0.18
36 KRKSHRRQPRGVKKyFHRFG 0.18
37 KRKSHRRQPRGVKRyWHRFG 0.18
38 KRKSHRRQPRGVKHyFKRFH 0.18
39 KRKSHRKQPRGVKHyFHRFN 0.18
40 KRKSHRRQPRGVKRyFRSFH 0.18
41 KRKSHRRQPRGVKRyFRTFH 0.19
42 KRKSHRKQPRGVKRyFRRFG 0.19
43 KRKSHRRQPRGVKHyFKRFG 0.19
44 KRKSHRRQPRGVKHyFHSFN 0.19
45 KRKSHRRQPRGVKRyWRRFH 0.2
46 KRKSHRRQPRGVKHyFHTFN 0.2
47 KRKSHRRQPRGVKRyFRTFG 0.2
48 KRKSHRKQPRGVKHyFHRFH 0.2
49 KRKSHRRQPRGVKRyFRSFG 0.2
50 KRKSHRRQPRGVKKyFRRFH 0.2
51 KRKSHRRQPRGVKHyWHRFN 0.21
52 KRKSHRRQPRGVKRyFKSFN 0.21
53 KRKSHRKQPRGVKRyFKRFN 0.21
54 KRKSHRRQPRGVKHyFHSFH 0.21
55 KRKSHRRQPRGVKKyFRRFG 0.21
56 KRKSHRRQPRGVKRyFHRMN 0.21
57 KRKSHRRQPRGVKRyFKTFN 0.22
58 KRKSHRRQPRGVKRYFHRFN 0.22
59 KRKSHRRQPRGVKRyWRRFG 0.22
60 KRKSHRRQPRGVKHyFHTFH 0.22
61 KRKSHRKQPRGVKHyFHRFG 0.22
62 KRKSHRKQPRGVKHyFRRFN 0.22
63 KRKSHRRQPRGVKHyFRSFN 0.22
64 KRKSHRRQPRGVKHyWHRFH 0.23
65 KRKSHRRQPRGVKKyFKRFN 0.23
66 KRKSHRRQPRGVKRyFKSFH 0.23
67 KFKSHRRQPRGVKRyFHRFN 0.23
68 KRKSHRKQPRGVKRyFKRFH 0.23
69 KRKSHRRQPRGVKHyFHSFG 0.23
70 KRKSHRRQPRGVKRyFHRWN 0.23
71 KRKSHRRQPRGVKRyFHRMH 0.23
72 KRKSHRRQPRGVKHyFRTFN 0.23
73 KRKSHRRQPRGVKRyFKTFH 0.24
74 KRKSHRRQPRGVKRYFHRFH 0.24
75 KRKSHRRQPRGVKHyFHTFG 0.24
76 KRKSHRKQPRGVKHyFRRFH 0.24
77 KRKSHRRQPRGVKRyWKRFN 0.24
78 KRKSHRKQPRGVKRyFHSFN 0.24
79 KRKSHRRQPRGVKHyWHRFG 0.25
80 KRKSHRKQPRGVKRyFHTFN 0.25
81 KRKSHRRQPRGVKRyFRRMN 0.25
82 KRKSHRRQPRGVKHyWRRFN 0.25
83 KRKSHRRQPRGVKKyFKRFH 0.25
84 KRKSHRRQPRGVKRyFKSFG 0.25
85 KFKSHRRQPRGVKRyFHRFH 0.25
86 KRKSHRRQPRGVKHyFRSFH 0.25
87 KRKSHRKQPRGVKRyFKRFG 0.25
88 KRKSHRRQPRGVKRYFRRFN 0.25
89 KRKSHRRQPRGVKRyFHRMG 0.25
90 KRKSHRRQPRGVKHyFRTFH 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRKSHRKQPRGVKRyFHRFG

9.03

-40.89

-31.86
2 KRKSHRRQPRGVKRyFRTFN

10.82

-41.71

-30.89
3 KRKSHRRQPRGVKHyFRRFN

11.2

-42.06

-30.86
4 KRKSHRKQPRGVKRyFHRFN

8.65

-38.85

-30.2
5 KRKSHRRQPRGVKHyFHRFG

10.15

-40.1

-29.95
6 KRKSHRRQPRGVKHyFRRFH

10.78

-39.62

-28.84
7 KRKSHRRQPRGVKHyFHRFH

11.24

-40.05

-28.81
8 KRKSHRRQPRGVKRyFRRFH

9.22

-38.01

-28.79
9 KRKSHRRQPRGVKRyWHRFN

9.91

-38.17

-28.26
10 KRKSHRRQPRGVKRyFRSFN

9.44

-37.08

-27.64
11 KRKSHRRQPRGVKRyFHTFN

9.41

-36.96

-27.55
12 KRKSHRRQPRGVKRyFRRFN

10.58

-38.03

-27.45
13 KRKSHRRQPRGVKRyFHSFN

9.48

-36.91

-27.43
14 KRKSHRRQPRGVKHyFRRFG

9.56

-36.69

-27.13
15 KRKSHRRQPRGVKHyFHRFN

9.82

-36.91

-27.09
16 KRKSHRRQPRGVKRyFHRFN

9.35

-36.37

-27.02
17 KRKSHRRQPRGVKRyFHSFH

11.51

-38.33

-26.82
18 KRKSHRRQPRGVKRyFRRFG

10.31

-37.0

-26.69
19 KRKSHRRQPRGVKRyFHRFG

10.58

-36.97

-26.39
20 KRKSHRRQPRGVKKyFHRFN

11.73

-38.0

-26.27
21 KRKSHRRQPRGVKKyFHRFH

11.82

-37.93

-26.11
22 KRKSHRRQPRGVKRyFKRFN

10.58

-36.66

-26.08
23 KRKSHRRQPRGVKRyFHRFH

13.19

-38.9

-25.71
24 KRKSHRRQPRGVKRyFHTFH

11.57

-36.93

-25.36
25 KRKSHRRQPRGVKRyFKRFH

10.45

-35.48

-25.03
26 KRKSHRRQPRGVKRyFHSFG

12.02

-37.01

-24.99
27 KRKSHRKQPRGVKRyFHRFH

9.23

-34.08

-24.85
28 KRKSHRRQPRGVKRyFKRFG

9.28

-34.07

-24.79
29 KRKSHRRQPRGVKHyFKRFN

9.57

-34.05

-24.48
30 KRKSHRKQPRGVKRyFRRFN

10.04

-34.36

-24.32

 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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