Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-18.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
G
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 1.393 ΔGbinding 0.455
TOTAL
 1.848
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.573
Van der Waals -3.949 Backbone clash 1.227
Electrostatics -0.047 Helix dipole 0.000
Solvation Polar 4.297 Water bridges -0.046
Solvation Hyd -5.657 Disulfide 0.000
VdW clashes 1.893 Electrost. Kon -0.178
Entropy sc 0.611 Part.cov.bonds 0.000
Entropy mc

2.959

 ΔGstability

19.932
       

Predicted ligand sequences for model [NBP2_1YN8-18.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).
 
  NBP2_1YN8-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIPPRHQY 0.0
2 RPPIKPRHQY 0.03
3 RPPIPPRRQY 0.04
4 RPPIPPRHQF 0.04
5 RPRIPPRHQY 0.06
6 RPPIKPRRQY 0.07
7 RPPIKPRHQF 0.07
8 RPPIPPRRQF 0.08
9 RPKIPPRHQY 0.09
10 RPRIKPRHQY 0.09
11 RPRIPPRHQF 0.1
12 RPRIPPRRQY 0.1
13 RPPIKPRRQF 0.11
14 RPKIKPRHQY 0.11
15 RPPIPPRHHY 0.11
16 RPRIKPRHQF 0.12
17 RPKIPPRHQF 0.13
18 RPRIKPRRQY 0.13
19 RPKIPPRRQY 0.13
20 RPRIPPRRQF 0.14
21 RPPIKPRHHY 0.14
22 RPPIPPRRHY 0.15
23 RPKIKPRHQF 0.15
24 RPPIPPRHHF 0.15
25 RPKIKPRRQY 0.16
26 RPRIPPRHHY 0.17
27 RPRIKPRRQF 0.17
28 RPKIPPRRQF 0.17
29 RPPIPPRKQY 0.17
30 RPPIKPRRHY 0.18
31 RPPIKPRHHF 0.18
32 RPPIPPRRHF 0.19
33 RPKIPPRHHY 0.2
34 RPPIKPRKQY 0.2
35 RPKIKPRRQF 0.2
36 RPPLPPRHQY 0.2
37 HPPIPPRHQY 0.2
38 RPRIKPRHHY 0.2
39 RPRIPPRRHY 0.21
40 RPRIPPRHHF 0.21
41 RPPIPPRKQF 0.21
42 RPKIKPRHHY 0.22
43 RPPIKPRRHF 0.22
44 FPPIPPRHQY 0.22
45 RPRIPPRKQY 0.23
46 HPPIKPRHQY 0.23
47 RPPLKPRHQY 0.23
48 FPPIKPRHQY 0.24
49 RPKIPPRHHF 0.24
50 RPKIPPRRHY 0.24
51 RPPIKPRKQF 0.24
52 RPPLPPRHQF 0.24
53 RPRIKPRRHY 0.24
54 HPPIPPRHQF 0.24
55 RPRIKPRHHF 0.24
56 RPRIPPRRHF 0.25
57 HPPIPPRRQY 0.25
58 RPPLPPRRQY 0.25
59 HPRIPPRHQY 0.26
60 FPPIPPRRQY 0.26
61 RPKIKPRHHF 0.26
62 RPRIKPRKQY 0.26
63 FPPIPPRHQF 0.26
64 RPRLPPRHQY 0.26
65 RPPIRPRHQY 0.26
66 RPKIPPRKQY 0.26
67 RPRIPPRKQF 0.27
68 RPKIKPRRHY 0.27
69 RPPLKPRRQY 0.27
70 HPPIKPRHQF 0.27
71 RPPLKPRHQF 0.27
72 HPPIKPRRQY 0.27
73 FPPIKPRHQF 0.28
74 RPKIPPRRHF 0.28
75 FPRIPPRHQY 0.28
76 RPPIPPRKHY 0.28
77 RPKIKPRKQY 0.28
78 RPRIKPRRHF 0.28
79 RPRLKPRHQY 0.29
80 FPPIKPRRQY 0.29
81 RPKLPPRHQY 0.29
82 HPPIPPRRQF 0.29
83 RPPLPPRRQF 0.29
84 HPKIPPRHQY 0.29
85 HPRIKPRHQY 0.29
86 HPRIPPRHQF 0.3
87 FPPIPPRRQF 0.3
88 FPRIKPRHQY 0.3
89 RPRIKPRKQF 0.3
90 RPRLPPRHQF 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRIKPRRQF

7.21

-5.54

1.67
2 RPRIKPRRQY

8.45

-6.13

2.32
3 RPKIKPRRQY

8.2

-5.83

2.37
4 RPKIKPRHQY

8.17

-5.47

2.7
5 RPPIKPRHQF

8.04

-5.13

2.91
6 RPPIKPRHHY

6.58

-3.39

3.19
7 RPPIKPRRQF

10.2

-6.59

3.61
8 RPPIKPRRQY

11.35

-7.5

3.85
9 RPRIKPRHQY

8.29

-4.39

3.9
10 RPRIPPRRQY

11.29

-7.11

4.18
11 RPPIPPRKQY

9.99

-5.68

4.31
12 RPRIPPRRQF

10.32

-5.91

4.41
13 RPKIPPRRQY

10.71

-6.26

4.45
14 RPPIPPRRHY

9.77

-5.17

4.6
15 RPKIPPRRQF

9.96

-5.24

4.72
16 RPPIKPRRHY

9.82

-5.06

4.76
17 RPKIPPRHQF

10.56

-5.72

4.84
18 RPRIKPRHQF

9.27

-4.35

4.92
19 RPPIPPRHHY

9.67

-4.23

5.44
20 RPRIPPRHQY

11.18

-5.44

5.74
21 RPRIPPRHHY

9.26

-3.44

5.82
22 RPPIPPRRQY

11.62

-5.77

5.85
23 RPKIKPRHQF

9.26

-3.38

5.88
24 RPPIKPRHQY

11.52

-5.54

5.98
25 RPPIPPRRQF

11.78

-5.8

5.98
26 RPPIPPRHHF

10.15

-3.94

6.21
27 RPPIPPRHQY

11.35

-5.04

6.31
28 RPKIPPRHQY

11.75

-5.25

6.5
29 RPRIPPRHQF

11.78

-5.2

6.58
30 RPPIPPRHQF

11.57

-4.71

6.86

 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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