Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-19.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
poly-Ala A A
A
 A A
G
 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 4.121 ΔGbinding -0.600
TOTAL
 3.521
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.602
Van der Waals -4.855 Backbone clash 0.067
Electrostatics 0.572 Helix dipole 0.000
Solvation Polar 4.546 Water bridges 0.002
Solvation Hyd -7.111 Disulfide 0.000
VdW clashes 1.376 Electrost. Kon 0.633
Entropy sc 0.573 Part.cov.bonds 0.000
Entropy mc

4.336

 ΔGstability

22.823
       

Predicted ligand sequences for model [LSB3_CKB-OOT-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 KMSKNGFHF 0.0
2 KMSKFGFHF 0.0
3 KPSKNGFHF 0.12
4 WMSKNGFHF 0.12
5 KPSKFGFHF 0.12
6 WMSKFGFHF 0.12
7 NMSKFGFHF 0.14
8 NMSKNGFHF 0.14
9 KDSKFGFHF 0.23
10 KDSKNGFHF 0.23
11 WPSKNGFHF 0.24
12 WPSKFGFHF 0.24
13 NPSKNGFHF 0.26
14 NPSKFGFHF 0.26
15 KMSKNGYHF 0.29
16 KMSKFGYHF 0.29
17 KMSKNGRHF 0.3
18 KMSKFGRHF 0.3
19 WDSKFGFHF 0.34
20 WDSKNGFHF 0.34
21 NDSKNGFHF 0.37
22 NDSKFGFHF 0.37
23 WMSKNGYHF 0.4
24 WMSKFGYHF 0.4
25 KPSKNGYHF 0.41
26 KPSKFGYHF 0.41
27 KPSKFGRHF 0.42
28 WMSKFGRHF 0.42
29 KPSKNGRHF 0.42
30 WMSKNGRHF 0.42
31 NMSKNGYHF 0.43
32 NMSKFGYHF 0.43
33 NMSKFGRHF 0.44
34 NMSKNGRHF 0.44
35 KMSRNGFHF 0.45
36 KMSRFGFHF 0.45
37 KMSMFGFHF 0.47
38 KMSKNGFHY 0.47
39 KMSMNGFHF 0.47
40 KMSKFGFHY 0.47
41 KMSKIGFHF 0.47
42 KDSKNGYHF 0.51
43 KDSKFGYHF 0.51
44 WPSKFGYHF 0.52
45 WPSKNGYHF 0.52
46 KDSKNGRHF 0.53
47 KDSKFGRHF 0.53
48 WPSKNGRHF 0.54
49 WPSKFGRHF 0.54
50 NPSKFGYHF 0.55
51 NPSKNGYHF 0.55
52 NPSKFGRHF 0.56
53 NPSKNGRHF 0.56
54 KPSRFGFHF 0.57
55 KPSRNGFHF 0.57
56 WMSRNGFHF 0.57
57 WMSRFGFHF 0.57
58 WMSKNGFHY 0.58
59 WMSKIGFHF 0.58
60 WMSKFGFHY 0.58
61 WMSMNGFHF 0.59
62 KPSMFGFHF 0.59
63 KPSKIGFHF 0.59
64 KPSMNGFHF 0.59
65 KPSKNGFHY 0.59
66 NMSRNGFHF 0.59
67 NMSRFGFHF 0.59
68 KPSKFGFHY 0.59
69 WMSMFGFHF 0.59
70 NMSMNGFHF 0.61
71 NMSMFGFHF 0.61
72 NMSKIGFHF 0.61
73 NMSKNGFHY 0.61
74 NMSKFGFHY 0.61
75 WDSKNGYHF 0.63
76 WDSKFGYHF 0.63
77 WDSKNGRHF 0.64
78 WDSKFGRHF 0.64
79 NDSKFGYHF 0.65
80 NDSKNGYHF 0.65
81 NDSKNGRHF 0.67
82 NDSKFGRHF 0.67
83 KDSRFGFHF 0.68
84 KDSRNGFHF 0.68
85 WPSRNGFHF 0.69
86 KDSKFGFHY 0.69
87 KDSKNGFHY 0.69
88 WPSRFGFHF 0.69
89 KDSMNGFHF 0.7
90 WPSKNGFHY 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPSKNGYHF

3.65

-8.18

-4.53
2 KMSKNGYHF

3.75

-8.0

-4.25
3 WMSKNGYHF

3.81

-7.74

-3.93
4 KPSKFGRHF

3.54

-7.46

-3.92
5 KMSKNGFHF

3.85

-7.71

-3.86
6 KPSKNGRHF

3.81

-7.63

-3.82
7 KPSKFGYHF

3.54

-7.26

-3.72
8 KPSKNGFHF

3.51

-7.18

-3.67
9 KMSKFGRHF

3.62

-7.21

-3.59
10 KMSKFGYHF

3.74

-7.11

-3.37
11 WMSKFGYHF

3.5

-6.82

-3.32
12 KMSKFGFHF

3.83

-7.13

-3.3
13 WPSKFGFHF

3.53

-6.79

-3.26
14 WMSKNGRHF

3.64

-6.89

-3.25
15 NMSKFGFHF

3.45

-6.58

-3.13
16 NPSKFGFHF

3.58

-6.66

-3.08
17 KMSKNGRHF

4.68

-7.75

-3.07
18 WMSKFGRHF

3.97

-6.65

-2.68
19 WPSKNGFHF

4.31

-6.87

-2.56
20 NPSKNGFHF

4.32

-6.88

-2.56
21 KDSKNGFHF

3.69

-6.14

-2.45
22 WMSKFGFHF

4.04

-6.45

-2.41
23 WDSKNGFHF

3.66

-5.84

-2.18
24 WMSKNGFHF

4.1

-6.25

-2.15
25 NMSKNGFHF

4.32

-6.41

-2.09
26 NDSKNGFHF

3.6

-5.66

-2.06
27 KDSKFGFHF

3.58

-5.41

-1.83
28 KPSKFGFHF

4.34

-6.14

-1.8
29 NDSKFGFHF

4.02

-5.29

-1.27
30 WDSKFGFHF

4.57

-4.73

-0.16

 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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