Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-1.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 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 12.935 ΔGbinding -0.783
TOTAL
 12.152
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.405
Van der Waals -4.905 Backbone clash 0.318
Electrostatics -0.059 Helix dipole 0.000
Solvation Polar 5.018 Water bridges 0.000
Solvation Hyd -7.353 Disulfide 0.000
VdW clashes 3.983 Electrost. Kon -0.054
Entropy sc 1.082 Part.cov.bonds 0.000
Entropy mc

2.650

 ΔGstability

72.016
       

Predicted ligand sequences for model [LSB1_1CKB-1.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).
 
  LSB1_1CKB-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPWMKAKRVK 0.0
2 RPWCKAKRVK 0.02
3 RNWMKAKRVK 0.13
4 RPWMKAKRVW 0.13
5 RNWCKAKRVK 0.15
6 RPWCKAKRVW 0.15
7 RPWMKAMRVK 0.15
8 RPWMKAKDVK 0.16
9 RPWMKARRVK 0.16
10 RPWCKAMRVK 0.17
11 RPWCKAKDVK 0.18
12 RPWMKAKRVP 0.18
13 RPWMKAKLVK 0.18
14 RPWCKARRVK 0.18
15 RPWCKAKRVP 0.2
16 RPWCKAKLVK 0.2
17 RPWMKFKRVK 0.24
18 RPFMKAKRVK 0.24
19 RNWMKAKRVW 0.26
20 RPFCKAKRVK 0.26
21 RPWCKFKRVK 0.26
22 RPWMKLKRVK 0.27
23 RNWMKAMRVK 0.28
24 RNWCKAKRVW 0.28
25 RPWMKAMRVW 0.28
26 RPWCKLKRVK 0.29
27 RPWMKAKDVW 0.29
28 RNWMKARRVK 0.29
29 RNWMKAKDVK 0.29
30 RPWMKARRVW 0.29
31 RNWCKAMRVK 0.3
32 RPWCKAMRVW 0.3
33 RPWCKAKDVW 0.31
34 RNWMKAKLVK 0.31
35 RNWMKAKRVP 0.31
36 RPWMKAKRPK 0.31
37 RPWMKAKLVW 0.31
38 RPWCKARRVW 0.31
39 RNWCKAKDVK 0.32
40 RNWCKARRVK 0.32
41 RPWMKAMDVK 0.32
42 RPWMKARDVK 0.33
43 RNWCKAKLVK 0.33
44 RNWCKAKRVP 0.33
45 RPWCKAKRPK 0.33
46 RPWMKAMRVP 0.33
47 RPWMPAKRVK 0.33
48 RPWCKAKLVW 0.33
49 RPWCKAMDVK 0.34
50 RPWMKAMLVK 0.34
51 RPWCPAKRVK 0.35
52 RPWMKAKDVP 0.35
53 RPWMKARLVK 0.35
54 RPWCKARDVK 0.35
55 RPWMKARRVP 0.35
56 RPWCKAMRVP 0.36
57 RPWCKAMLVK 0.36
58 RPWCKARLVK 0.37
59 RPWCKAKDVP 0.37
60 RPWMKFKRVW 0.37
61 RNWMKFKRVK 0.37
62 RPWMKAKLVP 0.37
63 RPWCKARRVP 0.37
64 RNFMKAKRVK 0.37
65 RPFMKAKRVW 0.37
66 RPWIKAKRVK 0.38
67 RPWMKLKRVW 0.39
68 RPFCKAKRVW 0.39
69 RPFMKAMRVK 0.39
70 RPWCKFKRVW 0.39
71 RNWCKFKRVK 0.39
72 RNFCKAKRVK 0.39
73 RPWCKAKLVP 0.39
74 RPWMKFMRVK 0.4
75 RNWMKLKRVK 0.4
76 RPFMKAKDVK 0.4
77 RPFMKARRVK 0.4
78 RPWMKFRRVK 0.41
79 RPWCKLKRVW 0.41
80 RPWMKFKDVK 0.41
81 RNWMKAMRVW 0.41
82 RPFCKAMRVK 0.41
83 RPFMKAKLVK 0.42
84 RPWMKLMRVK 0.42
85 RPWCKFMRVK 0.42
86 RPFCKARRVK 0.42
87 RNWCKLKRVK 0.42
88 RNWMKARRVW 0.42
89 RPFCKAKDVK 0.42
90 RNWMKAKDVW 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RNWMKAMRVK

7.23

-10.86

-3.63
2 RPWMKLKRVK

5.99

-9.0

-3.01
3 RPWMKFKRVK

7.2

-9.82

-2.62
4 RPWCKAKRVP

8.25

-10.85

-2.6
5 RNWMKAKRVK

8.68

-10.91

-2.23
6 RPWMKAKRVP

6.61

-8.37

-1.76
7 RPWCKLKRVK

7.32

-9.04

-1.72
8 RPWCKFKRVK

7.69

-9.36

-1.67
9 RPWCKAKRVW

7.92

-9.48

-1.56
10 RPWMKARRVW

8.46

-9.93

-1.47
11 RNWMKARRVK

8.0

-9.44

-1.44
12 RPWMKAMRVK

6.81

-8.21

-1.4
13 RPWCKARRVK

7.77

-8.95

-1.18
14 RPWCKAKLVK

6.98

-8.1

-1.12
15 RNWMKAKRVW

7.45

-8.52

-1.07
16 RPWMKAKDVW

6.89

-7.86

-0.97
17 RPWCKAKRVK

6.97

-7.92

-0.95
18 RNWMKAKDVK

7.1

-7.96

-0.86
19 RNWCKAKRVW

8.37

-8.62

-0.25
20 RPWMKAKRVK

7.03

-7.2

-0.17
21 RPWCKAKDVK

6.71

-6.87

-0.16
22 RPWMKAKRVW

6.73

-6.79

-0.06
23 RPWMKAKDVK

7.47

-7.46

0.01
24 RPWCKAMRVK

7.76

-7.68

0.08
25 RPWMKARRVK

7.51

-6.91

0.6
26 RNWCKAKRVK

7.2

-6.51

0.69
27 RPFCKAKRVK

7.16

-6.16

1.0
28 RPWMKAMRVW

8.25

-6.84

1.41
29 RPFMKAKRVK

7.44

-5.7

1.74
30 RPWMKAKLVK

8.01

-4.8

3.21

 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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