Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-17.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 5.559 ΔGbinding -2.811
TOTAL
 2.748
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.085
Van der Waals -4.688 Backbone clash 0.012
Electrostatics 0.135 Helix dipole 0.000
Solvation Polar 4.861 Water bridges -0.053
Solvation Hyd -6.783 Disulfide 0.000
VdW clashes 0.624 Electrost. Kon 0.281
Entropy sc 0.831 Part.cov.bonds 0.000
Entropy mc

4.946

 ΔGstability

31.584
       

Predicted ligand sequences for model [BUD14_1CKB-17.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_1CKB-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFFRGYWF 0.0
2 RRWFRGYWF 0.02
3 RRYFRGYWF 0.04
4 RRFFRGWWF 0.2
5 RRWFRGWWF 0.23
6 RRYFRGWWF 0.24
7 RKFFRGYWF 0.44
8 RPFFRGYWF 0.44
9 RRFFMGYWF 0.46
10 RRFFWGYWF 0.46
11 RRFFRGYCF 0.47
12 RPWFRGYWF 0.47
13 RKWFRGYWF 0.47
14 RKYFRGYWF 0.48
15 RPYFRGYWF 0.48
16 RRWFMGYWF 0.49
17 RRWFWGYWF 0.49
18 RRWFRGYCF 0.5
19 RRYFMGYWF 0.51
20 RRYFRGYCF 0.51
21 RRYFWGYWF 0.51
22 RPFFRGWWF 0.65
23 RKFFRGWWF 0.65
24 RPWFRGWWF 0.67
25 RRFFWGWWF 0.67
26 RKWFRGWWF 0.67
27 RRFFMGWWF 0.67
28 RRFFRGWCF 0.68
29 RRWFMGWWF 0.69
30 RRWFWGWWF 0.69
31 RKYFRGWWF 0.69
32 RPYFRGWWF 0.69
33 RRWFRGWCF 0.7
34 RRYFMGWWF 0.71
35 RRYFWGWWF 0.71
36 RRYFRGWCF 0.72
37 RKFFMGYWF 0.91
38 RPFFWGYWF 0.91
39 RPFFMGYWF 0.91
40 RKFFWGYWF 0.91
41 RPFFRGYCF 0.92
42 RKFFRGYCF 0.92
43 RKWFMGYWF 0.93
44 RPWFWGYWF 0.93
45 RKWFWGYWF 0.93
46 RPWFMGYWF 0.93
47 RPWFRGYCF 0.94
48 RKWFRGYCF 0.94
49 RRFFWGYCF 0.94
50 RRFFMGYCF 0.94
51 RPYFWGYWF 0.95
52 RKYFWGYWF 0.95
53 RKYFMGYWF 0.95
54 RPYFMGYWF 0.95
55 RRWFWGYCF 0.96
56 RPYFRGYCF 0.96
57 RRWFMGYCF 0.96
58 RKYFRGYCF 0.96
59 RRYFMGYCF 0.98
60 RRYFWGYCF 0.98
61 RKFFWGWWF 1.11
62 RKFFMGWWF 1.11
63 RPFFMGWWF 1.11
64 RPFFWGWWF 1.11
65 RPFFRGWCF 1.12
66 RKFFRGWCF 1.12
67 RKWFMGWWF 1.13
68 RPWFWGWWF 1.13
69 RKWFWGWWF 1.13
70 RPWFMGWWF 1.13
71 RRFFWGWCF 1.14
72 RRFFMGWCF 1.14
73 RPWFRGWCF 1.14
74 RKWFRGWCF 1.14
75 RPYFWGWWF 1.15
76 RKYFWGWWF 1.15
77 RPYFMGWWF 1.15
78 RKYFMGWWF 1.15
79 RPYFRGWCF 1.16
80 RKYFRGWCF 1.16
81 RRWFMGWCF 1.16
82 RRWFWGWCF 1.16
83 RRYFWGWCF 1.18
84 RRYFMGWCF 1.18
85 RKFFWGYCF 1.38
86 RPFFMGYCF 1.38
87 RPFFWGYCF 1.38
88 RKFFMGYCF 1.38
89 RPWFMGYCF 1.4
90 RPWFWGYCF 1.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRYFRGYCF

3.78

-12.06

-8.28
2 RPFFRGWWF

3.72

-11.76

-8.04
3 RRFFRGWCF

4.49

-12.33

-7.84
4 RRFFRGWWF

4.75

-12.45

-7.7
5 RPWFRGYWF

5.46

-13.13

-7.67
6 RRFFRGYWF

4.17

-11.77

-7.6
7 RRYFWGYWF

3.72

-11.31

-7.59
8 RRWFRGYCF

4.02

-11.59

-7.57
9 RKWFRGYWF

4.07

-11.53

-7.46
10 RRFFRGYCF

4.36

-11.41

-7.05
11 RPYFRGYWF

4.67

-11.62

-6.95
12 RKYFRGYWF

4.24

-11.14

-6.9
13 RRFFMGWWF

4.26

-11.12

-6.86
14 RRWFWGWWF

3.49

-10.04

-6.55
15 RRWFMGWWF

3.53

-9.98

-6.45
16 RRYFRGWWF

5.04

-11.11

-6.07
17 RPWFRGWWF

4.44

-10.38

-5.94
18 RKFFRGWWF

5.58

-11.29

-5.71
19 RKFFRGYWF

4.8

-10.37

-5.57
20 RRFFWGYWF

3.92

-9.41

-5.49
21 RRWFRGYWF

5.12

-10.58

-5.46
22 RRYFRGYWF

5.27

-10.64

-5.37
23 RRWFRGWWF

4.47

-9.74

-5.27
24 RRWFWGYWF

4.07

-9.33

-5.26
25 RPFFRGYWF

4.27

-9.46

-5.19
26 RRYFMGYWF

4.58

-9.53

-4.95
27 RRWFMGYWF

3.8

-8.34

-4.54
28 RRFFWGWWF

4.92

-9.27

-4.35
29 RKWFRGWWF

6.1

-9.68

-3.58
30 RRFFMGYWF

4.97

-8.02

-3.05

 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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