Predicted ligand sequences


ADAN-name: 1KA72.PDB (view again the scoring matrix)

PDB name: [1KA7.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R K S L T I Y A Q V Q K
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala
A
A
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 6.691 ΔGbinding -3.080
TOTAL
 3.611
Backbone Hb -1.560 Cis_bond 0.000
Sidechain Hb -0.750 Torsional clash 0.230
Van der Waals -12.740 Backbone clash 1.560
Electrostatics -0.600 Helix dipole 0.030
Solvation Polar 16.280 Water bridges -1.770
Solvation Hyd -17.180 Disulfide 0.000
VdW clashes 0.610 Electrost. Kon -0.500
Entropy sc 6.140 Part.cov.bonds 0.000
Entropy mc

8.730

 ΔGstability

61.830
       

Predicted ligand sequences for template [1KA72.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).
 
  1KA72.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKyHyIDMyLWH 0.0
2 RKyFyIDMyLWH 0.0
3 RKyHyIDMyLMH 0.01
4 RKyFyIDMyLMH 0.01
5 HKyHyIDMyLWH 0.01
6 HKyFyIDMyLWH 0.01
7 RHyFyIDMyLWH 0.02
8 RKyFyyDMyLWH 0.02
9 HKyHyIDMyLMH 0.02
10 RKyRyIDMyLMH 0.02
11 RKyRyIDMyLWH 0.02
12 RKyHyyDMyLWH 0.02
13 RHyHyIDMyLWH 0.02
14 RRyHyIDMyLWH 0.02
15 KKyFyIDMyLWH 0.02
16 RRyFyIDMyLWH 0.02
17 HKyFyIDMyLMH 0.02
18 KKyHyIDMyLWH 0.02
19 KKyHyIDMyLMH 0.03
20 RKyFyyDMyLMH 0.03
21 HHyHyIDMyLWH 0.03
22 HKyFyyDMyLWH 0.03
23 RHyFyIDMyLMH 0.03
24 HHyFyIDMyLWH 0.03
25 RKyHyyDMyLMH 0.03
26 RRyHyIDMyLMH 0.03
27 HRyFyIDMyLWH 0.03
28 HRyHyIDMyLWH 0.03
29 KKyFyIDMyLMH 0.03
30 HKyRyIDMyLWH 0.03
31 HKyHyyDMyLWH 0.03
32 HKyRyIDMyLMH 0.03
33 RRyFyIDMyLMH 0.03
34 RHyHyIDMyLMH 0.03
35 RRyRyIDMyLMH 0.04
36 HHyHyIDMyLMH 0.04
37 RHyRyIDMyLWH 0.04
38 KRyHyIDMyLWH 0.04
39 KRyFyIDMyLWH 0.04
40 KKyRyIDMyLMH 0.04
41 KKyRyIDMyLWH 0.04
42 HKyFyyDMyLMH 0.04
43 HHyFyIDMyLMH 0.04
44 RHyHyyDMyLWH 0.04
45 RRyHyyDMyLWH 0.04
46 HKyHyyDMyLMH 0.04
47 HRyFyIDMyLMH 0.04
48 KKyFyyDMyLWH 0.04
49 HRyHyIDMyLMH 0.04
50 RKyRyyDMyLMH 0.04
51 KHyHyIDMyLWH 0.04
52 RHyFyyDMyLWH 0.04
53 KHyFyIDMyLWH 0.04
54 KKyHyyDMyLWH 0.04
55 RRyRyIDMyLWH 0.04
56 RRyFyyDMyLWH 0.04
57 RHyRyIDMyLMH 0.04
58 RKyRyyDMyLWH 0.04
59 RRyFyyDMyLMH 0.05
60 HHyHyyDMyLWH 0.05
61 HHyFyyDMyLWH 0.05
62 KRyFyIDMyLMH 0.05
63 HKyRyyDMyLWH 0.05
64 HRyFyyDMyLWH 0.05
65 RRyHyyDMyLMH 0.05
66 KRyHyIDMyLMH 0.05
67 HRyRyIDMyLMH 0.05
68 HKyRyyDMyLMH 0.05
69 KKyFyyDMyLMH 0.05
70 RHyHyyDMyLMH 0.05
71 HHyRyIDMyLWH 0.05
72 HRyRyIDMyLWH 0.05
73 RHyFyyDMyLMH 0.05
74 HHyRyIDMyLMH 0.05
75 HRyHyyDMyLWH 0.05
76 KHyFyIDMyLMH 0.05
77 KHyHyIDMyLMH 0.05
78 KKyHyyDMyLMH 0.05
79 HHyHyyDMyLMH 0.06
80 HRyHyyDMyLMH 0.06
81 RHyRyyDMyLMH 0.06
82 RRyRyyDMyLMH 0.06
83 KRyRyIDMyLMH 0.06
84 RHyRyyDMyLWH 0.06
85 RRyRyyDMyLWH 0.06
86 KRyRyIDMyLWH 0.06
87 KHyRyIDMyLMH 0.06
88 HRyFyyDMyLMH 0.06
89 HHyFyyDMyLMH 0.06
90 KKyRyyDMyLWH 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHyHyIDMyLWH

6.21

-8.35

-2.14
2 RKyHyIDMyLWH

6.86

-8.62

-1.76
3 HKyHyIDMyLWH

6.46

-7.69

-1.23
4 HKyRyIDMyLWH

6.82

-7.85

-1.03
5 KKyHyIDMyLMH

6.34

-7.28

-0.94
6 HKyHyIDMyLMH

7.02

-7.41

-0.39
7 RHyFyIDMyLMH

7.15

-7.35

-0.2
8 RKyFyIDMyLWH

6.91

-5.12

1.79
9 RKyHyyDMyLWH

11.16

-8.68

2.48
10 KKyFyIDMyLMH

10.58

-7.93

2.65
11 HHyHyIDMyLWH

10.91

-7.79

3.12
12 HHyFyIDMyLWH

11.9

-7.45

4.45
13 RKyFyIDMyLMH

11.58

-7.02

4.56
14 RKyHyIDMyLMH

12.72

-7.14

5.58
15 RKyFyyDMyLWH

11.29

-5.03

6.26
16 RRyFyIDMyLWH

11.33

-4.67

6.66
17 RKyRyIDMyLMH

11.99

-5.2

6.79
18 HRyFyIDMyLWH

12.48

-5.09

7.39
19 RKyFyyDMyLMH

11.21

-3.78

7.43
20 RKyRyIDMyLWH

15.22

-2.36

12.86
21 HKyFyIDMyLWH

15.03

-2.1

12.93
22 KKyHyIDMyLWH

15.31

-2.25

13.06
23 HKyFyIDMyLMH

14.94

-1.6

13.34
24 RRyHyIDMyLMH

15.24

-1.8

13.44
25 RHyFyIDMyLWH

15.11

-1.59

13.52
26 HKyFyyDMyLWH

14.61

-1.01

13.6
27 HRyHyIDMyLWH

14.94

-1.05

13.89
28 RRyHyIDMyLWH

17.09

-3.16

13.93
29 RKyHyyDMyLMH

14.47

-0.52

13.95
30 KKyFyIDMyLWH

14.76

-0.39

14.37

 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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