Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-14.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
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 2.703 ΔGbinding -0.974
TOTAL
 1.729
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.226
Van der Waals -3.821 Backbone clash 0.152
Electrostatics 0.008 Helix dipole 0.000
Solvation Polar 3.623 Water bridges -0.069
Solvation Hyd -5.881 Disulfide 0.000
VdW clashes 1.559 Electrost. Kon -0.049
Entropy sc 0.486 Part.cov.bonds 0.000
Entropy mc

4.219

 ΔGstability

41.157
       

Predicted ligand sequences for model [CYK3_1QCF-14.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).
 
  CYK3_1QCF-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFVIFWRL 0.0
2 RWFVIFLRL 0.01
3 RWFVIFIRL 0.01
4 RWFVIFWCL 0.06
5 RWPVIFWRL 0.06
6 RWPVIFIRL 0.06
7 RWPVIFLRL 0.07
8 RWYVIFWRL 0.07
9 RWYVIFIRL 0.07
10 RWFVIFICL 0.07
11 RWFVIFLCL 0.07
12 RWYVIFLRL 0.08
13 RWFVIFWHL 0.11
14 RWFVRFWRL 0.11
15 RWFVIFIHL 0.12
16 RWPVIFWCL 0.12
17 RWPVIFICL 0.12
18 RWFVRFLRL 0.12
19 RWFVRFIRL 0.12
20 RWFVIFLHL 0.12
21 RWPVIFLCL 0.13
22 RWYVIFWCL 0.13
23 RWYVIFLCL 0.14
24 RWYVIFICL 0.14
25 RWPVIFIHL 0.17
26 RWPVRFIRL 0.17
27 RWPVRFWRL 0.17
28 RWPVIFWHL 0.17
29 RWYVRFWRL 0.18
30 RWFVRFWCL 0.18
31 RWPVIFLHL 0.18
32 RWYVIFWHL 0.18
33 RWPVRFLRL 0.18
34 RWFVRFICL 0.18
35 RWFVRFLCL 0.19
36 RWYVRFLRL 0.19
37 RWYVRFIRL 0.19
38 RWYVIFIHL 0.19
39 RWYVIFLHL 0.19
40 RWPVRFWCL 0.23
41 RWFVRFIHL 0.23
42 RWFVRFWHL 0.23
43 RWPVRFICL 0.24
44 RWFVRFLHL 0.24
45 RWPVRFLCL 0.24
46 RWYVRFWCL 0.24
47 RWYVRFICL 0.25
48 RWYVRFLCL 0.26
49 RWPVRFWHL 0.28
50 RWPVRFLHL 0.29
51 RWYVRFWHL 0.29
52 RWPVRFIHL 0.29
53 RWYVRFLHL 0.3
54 RWYVRFIHL 0.3
55 RWFVVFIRL 0.35
56 RWFVVFWRL 0.35
57 RWFVVFLRL 0.36
58 RWPVVFWRL 0.4
59 RWYVVFWRL 0.41
60 RWFVIFWRM 0.41
61 RWFVVFICL 0.41
62 RWPVVFIRL 0.41
63 RWFVVFWCL 0.41
64 RWPVVFLRL 0.41
65 RWYVVFIRL 0.42
66 RWFVVFLCL 0.42
67 RWFVIFIRM 0.42
68 RWFVIFLRM 0.42
69 RWYVVFLRL 0.43
70 RWFVIFWRI 0.45
71 RWFVIFIRI 0.45
72 RWFVVFWHL 0.46
73 RWFVVFIHL 0.46
74 RWPVVFWCL 0.46
75 RWFVIFLRI 0.46
76 RWFVVFLHL 0.47
77 RWPVIFIRM 0.47
78 RWPVIFWRM 0.47
79 RWPVVFLCL 0.47
80 RWPVVFICL 0.47
81 RWYVVFWCL 0.48
82 RWFVIFWCM 0.48
83 RWPVIFLRM 0.48
84 RWYVIFWRM 0.48
85 RWYVVFICL 0.48
86 RWFVIFICM 0.48
87 RWYVVFLCL 0.49
88 RWYVIFIRM 0.49
89 RWYVIFLRM 0.49
90 RWFVIFLCM 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWPVIFLCL

3.11

-8.67

-5.56
2 RWPVIFIRL

3.5

-8.74

-5.24
3 RWPVIFWCL

3.23

-8.47

-5.24
4 RWYVIFWCL

3.66

-8.8

-5.14
5 RWPVRFIRL

3.68

-8.77

-5.09
6 RWPVIFLRL

3.73

-8.79

-5.06
7 RWFVIFWHL

3.95

-8.56

-4.61
8 RWFVRFWCL

4.55

-9.12

-4.57
9 RWPVIFWHL

4.52

-8.99

-4.47
10 RWFVIFWCL

3.97

-8.11

-4.14
11 RWPVRFWRL

3.86

-7.96

-4.1
12 RWPVIFICL

4.57

-8.31

-3.74
13 RWPVIFIHL

4.06

-7.73

-3.67
14 RWFVIFICL

4.03

-7.59

-3.56
15 RWPVIFWRL

3.85

-7.28

-3.43
16 RWFVRFWRL

3.75

-7.18

-3.43
17 RWFVIFLRL

3.99

-7.29

-3.3
18 RWFVIFLHL

4.03

-7.27

-3.24
19 RWFVRFLRL

4.34

-7.45

-3.11
20 RWFVIFLCL

4.47

-7.33

-2.86
21 RWFVIFIHL

4.24

-6.93

-2.69
22 RWYVIFWRL

4.48

-7.04

-2.56
23 RWYVIFLRL

5.19

-7.38

-2.19
24 RWYVIFLCL

5.11

-7.29

-2.18
25 RWFVRFIRL

4.47

-6.64

-2.17
26 RWYVIFICL

5.19

-7.19

-2.0
27 RWYVIFIRL

4.8

-6.71

-1.91
28 RWFVIFWRL

4.55

-6.43

-1.88
29 RWYVRFWRL

4.35

-5.95

-1.6
30 RWFVIFIRL

5.29

-6.89

-1.6

 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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