Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 7.089 ΔGbinding -0.605
TOTAL
 6.484
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.416
Van der Waals -2.820 Backbone clash 0.018
Electrostatics 0.265 Helix dipole 0.000
Solvation Polar 2.539 Water bridges -0.157
Solvation Hyd -4.278 Disulfide 0.000
VdW clashes 0.848 Electrost. Kon 0.323
Entropy sc 0.108 Part.cov.bonds 0.000
Entropy mc

2.152

 ΔGstability

32.837
       

Predicted ligand sequences for model [BUD14_1CKA-9.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).
 
  BUD14_1CKA-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPMFPRR 0.0
2 RRWMFPRR 0.05
3 RRPMWPRR 0.13
4 RRFMFPRR 0.16
5 RRPMIPRR 0.17
6 RRWMWPRR 0.18
7 RRWMIPRR 0.22
8 MRPMFPRR 0.25
9 RRPMFPRT 0.28
10 RRFMWPRR 0.29
11 MRWMFPRR 0.3
12 RRPMFERR 0.3
13 RRPMFDRR 0.31
14 RRFMIPRR 0.33
15 RRWMFPRT 0.33
16 RRWMFERR 0.35
17 RRWMFDRR 0.36
18 MRPMWPRR 0.38
19 RRPMFPRS 0.41
20 MRFMFPRR 0.41
21 RRPMWPRT 0.41
22 MRPMIPRR 0.42
23 MRWMWPRR 0.43
24 RRPMWERR 0.43
25 RRPWFPRR 0.43
26 RRPMWDRR 0.44
27 RRFMFPRT 0.45
28 RRWMWPRT 0.46
29 RRPMIPRT 0.46
30 RRWMFPRS 0.46
31 RRFMFERR 0.46
32 RRPMIERR 0.47
33 MRWMIPRR 0.47
34 RRFMFDRR 0.47
35 RRWWFPRR 0.48
36 RRPMIDRR 0.48
37 RRWMWERR 0.48
38 RRWMWDRR 0.49
39 RRWMIPRT 0.51
40 RRWMIERR 0.52
41 MRPMFPRT 0.53
42 RRWMIDRR 0.53
43 RRPMWPRS 0.54
44 MRFMWPRR 0.54
45 MRPMFERR 0.55
46 MRPMFDRR 0.56
47 RRPWWPRR 0.56
48 MRFMIPRR 0.58
49 RRFMWPRT 0.58
50 MRWMFPRT 0.58
51 RRPMIPRS 0.58
52 RRFMFPRS 0.58
53 RRWMWPRS 0.59
54 RRFWFPRR 0.59
55 RRFMWERR 0.59
56 RRPMFDRT 0.59
57 RRPMFERT 0.59
58 RRFMWDRR 0.6
59 RRPWIPRR 0.6
60 MRWMFERR 0.6
61 RRWWWPRR 0.61
62 MRWMFDRR 0.61
63 RRFMIPRT 0.62
64 RRFMIERR 0.64
65 RRWMFERT 0.64
66 RRWMIPRS 0.64
67 RRFMIDRR 0.65
68 RRWWIPRR 0.65
69 RRWMFDRT 0.65
70 MRPMFPRS 0.66
71 MRPMWPRT 0.66
72 MRPMWERR 0.68
73 MRPWFPRR 0.68
74 MRPMWDRR 0.69
75 MRFMFPRT 0.69
76 MRPMIPRT 0.7
77 RRFMWPRS 0.71
78 MRWMFPRS 0.71
79 MRWMWPRT 0.71
80 MRFMFERR 0.71
81 RRPWFPRT 0.71
82 RRPMFERS 0.71
83 MRFMFDRR 0.72
84 RRFWWPRR 0.72
85 RRPMWERT 0.72
86 MRPMIERR 0.72
87 RRPMFDRS 0.72
88 RRPMWDRT 0.72
89 RRPWFERR 0.73
90 MRPMIDRR 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWMIPRR

3.16

-8.49

-5.33
2 RRFMIPRR

3.42

-8.39

-4.97
3 RRPMIPRR

4.18

-9.09

-4.91
4 RRPMFPRT

3.7

-7.77

-4.07
5 RRPMIPRT

3.82

-7.83

-4.01
6 RRFMWPRR

3.95

-7.91

-3.96
7 RRFMFPRR

4.11

-7.85

-3.74
8 RRPMFPRR

4.81

-8.43

-3.62
9 RRWMFPRT

3.69

-7.04

-3.35
10 RRPMWPRR

3.95

-7.08

-3.13
11 MRPMWPRR

4.21

-7.26

-3.05
12 RRFMFPRT

4.31

-7.14

-2.83
13 MRPMFPRR

4.16

-6.94

-2.78
14 RRPMWDRR

3.64

-6.29

-2.65
15 RRPWFPRR

3.94

-6.43

-2.49
16 RRPMFERR

3.69

-6.08

-2.39
17 MRWMWPRR

3.74

-6.13

-2.39
18 MRPMIPRR

3.65

-5.9

-2.25
19 RRPMFDRR

3.88

-6.04

-2.16
20 MRFMFPRR

3.88

-6.03

-2.15
21 RRWMWPRR

3.77

-5.74

-1.97
22 RRPMWERR

3.98

-5.88

-1.9
23 RRWMFERR

3.87

-5.76

-1.89
24 RRWMFPRR

4.01

-5.89

-1.88
25 RRWMWPRT

4.26

-5.94

-1.68
26 RRPMWPRT

4.0

-5.59

-1.59
27 RRPMFPRS

3.6

-5.18

-1.58
28 RRWMFDRR

4.04

-5.5

-1.46
29 RRWMFPRS

3.69

-4.91

-1.22
30 MRWMFPRR

4.46

-4.93

-0.47

 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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