Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-18.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A A
A
A
A
G
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 5.384 ΔGbinding 1.652
TOTAL
 7.036
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.124
Van der Waals -3.781 Backbone clash 1.030
Electrostatics 0.284 Helix dipole 0.000
Solvation Polar 3.658 Water bridges 0.069
Solvation Hyd -5.570 Disulfide 0.000
VdW clashes 1.339 Electrost. Kon 0.331
Entropy sc 0.332 Part.cov.bonds 0.000
Entropy mc

3.867

 ΔGstability

22.914
       

Predicted ligand sequences for model [LSB3_CKB-OOT-18.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).
 
  LSB3_CKB-OOT-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHFRRPMHYH 0.0
2 KHFRRPMHYH 0.07
3 FHYRRPMHYH 0.08
4 FHFRRPMHKH 0.08
5 FHFRRPMHYM 0.08
6 FHPRRPMHYH 0.11
7 KHYRRPMHYH 0.14
8 KHFRRPMHYM 0.14
9 FIFRRPMHYH 0.15
10 KHFRRPMHKH 0.15
11 FHYRRPMHKH 0.16
12 FHYRRPMHYM 0.16
13 FHFRRPMHKM 0.16
14 FFFRRPMHYH 0.17
15 KHPRRPMHYH 0.17
16 FHPRRPMHKH 0.19
17 FHPRRPMHYM 0.19
18 KIFRRPMHYH 0.21
19 FIYRRPMHYH 0.22
20 KHYRRPMHYM 0.22
21 KHYRRPMHKH 0.23
22 KFFRRPMHYH 0.23
23 KHFRRPMHKM 0.23
24 FIFRRPMHYM 0.23
25 FIFRRPMHKH 0.23
26 FFFRRPMHYM 0.24
27 FFYRRPMHYH 0.24
28 FHYRRPMHKM 0.24
29 FFFRRPMHKH 0.25
30 KHPRRPMHYM 0.25
31 FIPRRPMHYH 0.26
32 KHPRRPMHKH 0.26
33 FHFRRPMHYL 0.26
34 FHPRRPMHKM 0.27
35 FFPRRPMHYH 0.27
36 RHFRRPMHYH 0.29
37 KIFRRPMHYM 0.29
38 KIYRRPMHYH 0.29
39 FIYRRPMHYM 0.3
40 KIFRRPMHKH 0.3
41 KHYRRPMHKM 0.3
42 FIYRRPMHKH 0.31
43 KFFRRPMHKH 0.31
44 KFFRRPMHYM 0.31
45 KFYRRPMHYH 0.31
46 FIFRRPMHKM 0.31
47 FFYRRPMHYM 0.32
48 KIPRRPMHYH 0.32
49 FFFRRPMHKM 0.33
50 FFYRRPMHKH 0.33
51 KHFRRPMHYL 0.33
52 FIPRRPMHYM 0.34
53 FHYRRPMHYL 0.34
54 KFPRRPMHYH 0.34
55 FHFRRPMHKL 0.34
56 FIPRRPMHKH 0.34
57 KHPRRPMHKM 0.34
58 FFPRRPMHYM 0.35
59 FFPRRPMHKH 0.36
60 KIYRRPMHKH 0.37
61 FHPRRPMHYL 0.37
62 RHYRRPMHYH 0.37
63 RHFRRPMHYM 0.37
64 KIYRRPMHYM 0.37
65 RHFRRPMHKH 0.38
66 KIFRRPMHKM 0.38
67 FIYRRPMHKM 0.39
68 KFFRRPMHKM 0.39
69 KFYRRPMHKH 0.39
70 KFYRRPMHYM 0.39
71 KIPRRPMHYM 0.4
72 RHPRRPMHYH 0.4
73 FFYRRPMHKM 0.4
74 KHYRRPMHYL 0.4
75 FIFRRPMHYL 0.41
76 KIPRRPMHKH 0.41
77 KHFRRPMHKL 0.41
78 FHYRRPMHKL 0.42
79 KFPRRPMHKH 0.42
80 FIPRRPMHKM 0.42
81 KFPRRPMHYM 0.42
82 FFFRRPMHYL 0.43
83 KHPRRPMHYL 0.43
84 RIFRRPMHYH 0.44
85 FFPRRPMHKM 0.44
86 RHYRRPMHYM 0.45
87 KIYRRPMHKM 0.45
88 FHPRRPMHKL 0.45
89 FHFRRRMHYH 0.45
90 RHYRRPMHKH 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FIFRRPMHKH

7.79

-6.07

1.72
2 FFFRRPMHKH

7.32

-5.54

1.78
3 FIFRRPMHYM

7.6

-5.13

2.47
4 FHYRRPMHKH

8.08

-5.55

2.53
5 FFFRRPMHYH

10.32

-7.5

2.82
6 FIFRRPMHYH

7.6

-4.49

3.11
7 FHYRRPMHYH

7.19

-4.02

3.17
8 KHYRRPMHYM

8.29

-4.92

3.37
9 KHPRRPMHYM

7.63

-4.18

3.45
10 FHYRRPMHYM

7.19

-3.67

3.52
11 FHPRRPMHYM

7.93

-4.36

3.57
12 KHFRRPMHKM

7.74

-3.7

4.04
13 FFYRRPMHYH

9.91

-5.72

4.19
14 FHYRRPMHKM

7.7

-3.17

4.53
15 FHPRRPMHKH

10.13

-5.56

4.57
16 KHFRRPMHYM

7.79

-3.07

4.72
17 FHFRRPMHKM

9.9

-4.85

5.05
18 KIFRRPMHYH

10.07

-4.85

5.22
19 FIYRRPMHYH

9.83

-4.52

5.31
20 FHFRRPMHYH

10.21

-4.84

5.37
21 KFFRRPMHYH

11.12

-5.23

5.89
22 FHFRRPMHKH

10.36

-4.32

6.04
23 FFFRRPMHYM

11.52

-5.3

6.22
24 KHPRRPMHYH

10.42

-3.83

6.59
25 KHYRRPMHKH

10.4

-3.35

7.05
26 KHFRRPMHYH

10.23

-2.94

7.29
27 KHFRRPMHKH

11.4

-4.1

7.3
28 FHPRRPMHYH

11.81

-4.42

7.39
29 KHYRRPMHYH

10.9

-3.37

7.53
30 FHFRRPMHYM

11.6

-3.38

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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