Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-28.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 4.978 ΔGbinding -2.090
TOTAL
 2.888
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.353
Van der Waals -4.862 Backbone clash 0.098
Electrostatics -0.048 Helix dipole 0.000
Solvation Polar 5.025 Water bridges -0.024
Solvation Hyd -7.054 Disulfide 0.000
VdW clashes 3.056 Electrost. Kon -0.159
Entropy sc 0.823 Part.cov.bonds 0.000
Entropy mc

3.349

 ΔGstability

47.000
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-28.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).
 
  BEM1-D1_JO8-QCF-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRPPRKNK 0.0
2 RRPRPKRKNK 0.01
3 RRRRPPRKNK 0.02
4 RRRRPKRKNK 0.03
5 RRPRPPRPNK 0.05
6 RRPRPKRPNK 0.06
7 RRPRRPRKNK 0.06
8 RRPRRKRKNK 0.07
9 RRRRPPRPNK 0.08
10 RRRRPKRPNK 0.08
11 RRRRRPRKNK 0.09
12 RRPRPRRKNK 0.09
13 RRRRRKRKNK 0.09
14 RRPRPPRKMK 0.11
15 RRRRPRRKNK 0.11
16 RRPRRKRPNK 0.12
17 RRPRPKRKMK 0.12
18 RRPRRPRPNK 0.12
19 RRRRPPRKMK 0.13
20 RRRRRKRPNK 0.14
21 RRRRPKRKMK 0.14
22 RRPRPRRPNK 0.14
23 RRRRRPRPNK 0.14
24 RRPRRRRKNK 0.15
25 RRRRPRRPNK 0.16
26 RRPRPPRPMK 0.16
27 RRPRPKRPMK 0.17
28 RRRRRRRKNK 0.17
29 RRPRRPRKMK 0.17
30 RRPRPPRINK 0.18
31 RRPRRKRKMK 0.18
32 RRRRPKRPMK 0.19
33 RRRRPPRPMK 0.19
34 RRPRPKRINK 0.19
35 RRPRPRRKMK 0.2
36 RRRRRPRKMK 0.2
37 RRPRRRRPNK 0.2
38 RRRRPPRINK 0.2
39 RRRRRKRKMK 0.2
40 RRERPPRKNK 0.21
41 RRRRPKRINK 0.21
42 RRRRPRRKMK 0.22
43 RRERPKRKNK 0.22
44 RRRRRRRPNK 0.23
45 RRPRRKRPMK 0.23
46 RRPRRPRPMK 0.23
47 RRPRPPRKKK 0.24
48 RRPRPKRKKK 0.24
49 RRPRPRRPMK 0.25
50 RRRRRPRPMK 0.25
51 RRPRRPRINK 0.25
52 RRPRRKRINK 0.25
53 RRRRPPRKKK 0.26
54 RRPRRRRKMK 0.26
55 RRRRRKRPMK 0.26
56 RRRRRPRINK 0.27
57 RRRRPRRPMK 0.27
58 RRPRPRRINK 0.27
59 RRRRPKRKKK 0.27
60 RRERPKRPNK 0.27
61 RRERPPRPNK 0.27
62 RRRRRKRINK 0.27
63 RRERRPRKNK 0.28
64 RRERRKRKNK 0.28
65 RRRRRRRKMK 0.29
66 RRPRPPRIMK 0.29
67 RRRRPRRINK 0.29
68 RRPRPPRPKK 0.29
69 RRPRPKRPKK 0.3
70 RRERPRRKNK 0.3
71 RRPRRPRKKK 0.3
72 RRPRPKRIMK 0.3
73 RRPRRKRKKK 0.31
74 RRRRPKRIMK 0.32
75 RRRRPPRIMK 0.32
76 RRRRPKRPKK 0.32
77 RRRRPPRPKK 0.32
78 RRPRRRRPMK 0.32
79 RRRRRKRKKK 0.33
80 RRPRPRRKKK 0.33
81 RRERPKRKMK 0.33
82 RRERRPRPNK 0.33
83 RRRRRPRKKK 0.33
84 RRPRRRRINK 0.33
85 RRERPPRKMK 0.33
86 RRRRRRRPMK 0.34
87 RRERRKRPNK 0.34
88 RRRRPRRKKK 0.35
89 RRPRRPRPKK 0.36
90 FRPRPPRKNK 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRRPPRKMK

3.91

-14.28

-10.37
2 RRRRPRRKNK

4.46

-14.58

-10.12
3 RRPRRPRKNK

4.64

-14.51

-9.87
4 RRRRPPRPNK

4.42

-14.17

-9.75
5 RRRRPKRKMK

4.39

-14.11

-9.72
6 RRRRPPRKNK

4.27

-13.39

-9.12
7 RRPRRPRPNK

4.58

-13.64

-9.06
8 RRPRPPRPMK

4.76

-13.71

-8.95
9 RRPRRPRKMK

4.39

-13.21

-8.82
10 RRPRPPRKMK

5.16

-13.93

-8.77
11 RRPRPPRINK

4.55

-13.28

-8.73
12 RRPRPPRKNK

4.53

-13.26

-8.73
13 RRPRPKRKNK

5.32

-13.87

-8.55
14 RRRRRPRKNK

4.69

-13.19

-8.5
15 RRRRRRRKNK

5.12

-13.62

-8.5
16 RRPRPKRKMK

5.01

-13.48

-8.47
17 RRRRRPRPNK

5.0

-13.26

-8.26
18 RRPRPRRKNK

5.69

-13.69

-8.0
19 RRPRRRRKNK

5.97

-13.62

-7.65
20 RRPRPKRPNK

4.97

-12.56

-7.59
21 RRPRPPRPNK

4.99

-12.19

-7.2
22 RRPRPRRPNK

5.45

-12.63

-7.18
23 RRRRPKRPNK

5.15

-12.21

-7.06
24 RRRRPRRPNK

4.95

-11.95

-7.0
25 RRRRRKRPNK

5.7

-12.66

-6.96
26 RRPRPKRPMK

5.95

-12.72

-6.77
27 RRRRPKRKNK

5.18

-11.89

-6.71
28 RRRRRKRKNK

5.21

-11.91

-6.7
29 RRPRRKRPNK

5.97

-11.59

-5.62
30 RRPRRKRKNK

5.13

-9.64

-4.51

 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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