Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-4.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 8.809 ΔGbinding 2.113
TOTAL
 10.922
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.988
Van der Waals -4.881 Backbone clash 0.113
Electrostatics 0.142 Helix dipole 0.000
Solvation Polar 5.291 Water bridges 0.032
Solvation Hyd -7.411 Disulfide 0.000
VdW clashes 5.714 Electrost. Kon 0.212
Entropy sc 1.257 Part.cov.bonds 0.000
Entropy mc

2.542

 ΔGstability

35.928
       

Predicted ligand sequences for model [NBP2_1SEM-4.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_1SEM-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 MIPRRFRHMR 0.0
2 MPPRRFRHMR 0.09
3 MIPRRYRHMR 0.1
4 MIPRRFRHRR 0.1
5 MIPRRRRHMR 0.12
6 IIPRRFRHMR 0.14
7 LIPRRFRHMR 0.16
8 MIPRRFRRMR 0.18
9 MPPRRYRHMR 0.19
10 MPPRRFRHRR 0.19
11 MIPRRYRHRR 0.21
12 MPPRRRRHMR 0.21
13 MIPRRRRHRR 0.22
14 IPPRRFRHMR 0.23
15 LPPRRFRHMR 0.24
16 IIPRRYRHMR 0.25
17 MIPRHFRHMR 0.25
18 IIPRRFRHRR 0.25
19 LIPRRFRHRR 0.26
20 IIPRRRRHMR 0.26
21 LIPRRYRHMR 0.26
22 LIPRRRRHMR 0.27
23 MPPRRFRRMR 0.27
24 MIPRRYRRMR 0.29
25 MIPRRFRRRR 0.29
26 MPPRRYRHRR 0.29
27 MIPRRRRRMR 0.3
28 MPPRRRRHRR 0.31
29 IIPRRFRRMR 0.33
30 MPPRHFRHMR 0.33
31 LIPRRFRRMR 0.34
32 MVPRRFRHMR 0.34
33 IPPRRFRHRR 0.34
34 IPPRRYRHMR 0.34
35 LPPRRFRHRR 0.35
36 IPPRRRRHMR 0.35
37 MIPRHFRHRR 0.35
38 IIPRRYRHRR 0.35
39 MIPRHYRHMR 0.35
40 LPPRRYRHMR 0.35
41 MIPRHRRHMR 0.36
42 LIPRRYRHRR 0.36
43 LPPRRRRHMR 0.36
44 IIPRRRRHRR 0.37
45 MPPRRYRRMR 0.38
46 MPPRRFRRRR 0.38
47 LIPRRRRHRR 0.38
48 MIPRRYRRRR 0.39
49 MPPRRRRRMR 0.39
50 MIRRRFRHMR 0.39
51 IIPRHFRHMR 0.39
52 LIPRHFRHMR 0.4
53 MIPRRRRRRR 0.4
54 MIPRKFRHMR 0.4
55 MIPRRFRHKR 0.41
56 IPPRRFRRMR 0.42
57 MIPRHFRRMR 0.43
58 IIPRRFRRRR 0.43
59 IIPRRYRRMR 0.43
60 LPPRRFRRMR 0.43
61 LIPRRFRRRR 0.44
62 LIPRRYRRMR 0.44
63 MPPRHYRHMR 0.44
64 MPPRHFRHRR 0.44
65 IPPRRYRHRR 0.44
66 MPPRHRRHMR 0.45
67 IIPRRRRRMR 0.45
68 MVPRRYRHMR 0.45
69 MVPRRFRHRR 0.45
70 MIHRRFRHMR 0.45
71 IPPRRRRHRR 0.45
72 LPPRRYRHRR 0.45
73 MIPRHYRHRR 0.45
74 LIPRRRRRMR 0.46
75 MVPRRRRHMR 0.46
76 LPPRRRRHRR 0.46
77 MIPRHRRHRR 0.47
78 MPRRRFRHMR 0.47
79 IPPRHFRHMR 0.48
80 MPPRRYRRRR 0.48
81 MPPRRFRHKR 0.49
82 MIRRRYRHMR 0.49
83 IVPRRFRHMR 0.49
84 MIRRRFRHRR 0.49
85 MPPRRRRRRR 0.49
86 LPPRHFRHMR 0.49
87 IIPRHYRHMR 0.49
88 MPPRKFRHMR 0.49
89 IIPRHFRHRR 0.49
90 MIPRKFRHRR 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MIPRRYRHRR

3.87

-13.32

-9.45
2 MIPRHFRHMR

4.21

-13.18

-8.97
3 MPPRRYRHMR

4.22

-13.1

-8.88
4 MPPRHFRHMR

4.28

-12.94

-8.66
5 MIPRRFRRMR

4.25

-12.07

-7.82
6 MPPRRFRRMR

4.34

-12.06

-7.72
7 LIPRRYRHMR

3.98

-11.63

-7.65
8 MIPRRFRRRR

4.26

-11.8

-7.54
9 MIPRRYRHMR

4.7

-12.23

-7.53
10 LIPRRRRHMR

4.64

-11.86

-7.22
11 MIPRRRRHRR

4.45

-11.19

-6.74
12 MIPRRFRHMR

4.11

-10.66

-6.55
13 MIPRRYRRMR

6.67

-13.08

-6.41
14 MPPRRFRHMR

3.99

-10.28

-6.29
15 MPPRRRRHMR

4.12

-10.4

-6.28
16 LIPRRFRHRR

3.69

-9.56

-5.87
17 MIPRRFRHRR

4.25

-10.0

-5.75
18 LPPRRFRHMR

4.55

-9.78

-5.23
19 MPPRRYRHRR

4.7

-9.6

-4.9
20 IPPRRFRHMR

4.31

-9.18

-4.87
21 MIPRRRRRMR

5.02

-9.72

-4.7
22 MPPRRFRHRR

4.13

-8.0

-3.87
23 IIPRRFRRMR

6.57

-10.17

-3.6
24 LIPRRFRHMR

5.17

-8.75

-3.58
25 IIPRRRRHMR

7.02

-10.07

-3.05
26 IIPRRYRHMR

5.62

-8.33

-2.71
27 IIPRRFRHMR

4.53

-6.94

-2.41
28 MPPRRRRHRR

4.41

-6.79

-2.38
29 IIPRRFRHRR

4.93

-7.31

-2.38
30 MIPRRRRHMR

5.14

-6.78

-1.64

 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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