Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-27.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
 G
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 6.151 ΔGbinding -1.742
TOTAL
 4.409
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.170
Van der Waals -3.657 Backbone clash 0.257
Electrostatics -0.106 Helix dipole 0.000
Solvation Polar 4.525 Water bridges -0.024
Solvation Hyd -5.053 Disulfide 0.000
VdW clashes 1.244 Electrost. Kon -0.148
Entropy sc 1.200 Part.cov.bonds 0.000
Entropy mc

1.882

 ΔGstability

49.699
       

Predicted ligand sequences for model [BEM1-D2_1SEM-27.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-D2_1SEM-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 WHRHLRMWR 0.0
2 WHRHRRMWR 0.01
3 WHRHLRIWR 0.01
4 WHRHLRMWK 0.01
5 WHRHLRIWK 0.02
6 WHRHRRMWK 0.02
7 WHRHRRIWR 0.02
8 WHRHRRIWK 0.03
9 WRRHRRMWR 0.12
10 WRRHLRMWK 0.12
11 WRRHLRMWR 0.12
12 WHRHLRMWW 0.12
13 WHRHLRIWW 0.13
14 WHRHRRMWW 0.13
15 WRRHLRIWR 0.13
16 WRRHLRIWK 0.13
17 WRRHRRMWK 0.13
18 WRRHRRIWR 0.14
19 WRRHRRIWK 0.14
20 WHRHRRIWW 0.14
21 WHRHLRQWR 0.18
22 WHRHLRQWK 0.18
23 WHRHRRQWR 0.19
24 WHRHRRQWK 0.2
25 WHRHWRMWR 0.2
26 WHRHWRIWR 0.21
27 WHRHWRMWK 0.21
28 WHRHWRIWK 0.22
29 WKRHLRMWR 0.22
30 WKRHRRMWR 0.23
31 WKRHLRIWR 0.23
32 WKRHLRMWK 0.23
33 WRRHLRMWW 0.23
34 WKRHRRIWR 0.24
35 WKRHRRMWK 0.24
36 WRRHRRMWW 0.24
37 WKRHLRIWK 0.24
38 WRRHLRIWW 0.25
39 WKRHRRIWK 0.25
40 WRRHRRIWW 0.26
41 WRRHLRQWR 0.29
42 WHKHLRMWK 0.3
43 WHKHLRMWR 0.3
44 WHRHLRQWW 0.3
45 WRRHRRQWR 0.3
46 WRRHLRQWK 0.3
47 WRRHRRQWK 0.31
48 WHRHRRQWW 0.31
49 WHKHLRIWR 0.31
50 WHKHLRIWK 0.31
51 WHKHRRMWK 0.31
52 WHKHRRMWR 0.31
53 WHKHRRIWR 0.32
54 WHKHRRIWK 0.32
55 WRRHWRMWR 0.32
56 WHRHWRMWW 0.32
57 WRRHWRIWR 0.33
58 WHRHWRIWW 0.33
59 WRRHWRMWK 0.33
60 WRRHWRIWK 0.34
61 WKRHLRMWW 0.34
62 WKRHRRMWW 0.35
63 WKRHLRIWW 0.35
64 WKRHRRIWW 0.36
65 WHRHLPMWR 0.37
66 WHRHRPMWR 0.38
67 WHRHWRQWR 0.38
68 WHRHLPMWK 0.38
69 WHRHRPMWK 0.39
70 WHRHWRQWK 0.39
71 WHRHLPIWK 0.39
72 WHRHLPIWR 0.39
73 WHRHRPIWK 0.4
74 WHRHRPIWR 0.4
75 WKRHLRQWR 0.4
76 WKRHRRQWR 0.41
77 WRRHLRQWW 0.41
78 WKRHLRQWK 0.41
79 WRKHLRMWR 0.41
80 WHKHLRMWW 0.42
81 WRRHRRQWW 0.42
82 WKRHRRQWK 0.42
83 WRKHLRIWR 0.42
84 WKRHWRMWR 0.42
85 WRKHLRMWK 0.42
86 WRKHRRMWR 0.42
87 WKRHWRIWR 0.43
88 WRKHLRIWK 0.43
89 WRKHRRIWR 0.43
90 WKRHWRMWK 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRHRRMWK

4.11

-8.44

-4.33
2 WHRHLRMWR

4.25

-8.43

-4.18
3 WRRHRRMWR

4.29

-8.26

-3.97
4 WHRHWRMWK

4.81

-8.75

-3.94
5 WHRHLRMWK

4.43

-8.34

-3.91
6 WRRHLRMWK

4.12

-8.02

-3.9
7 WKRHLRMWR

4.91

-8.67

-3.76
8 WHRHRRMWR

5.09

-8.83

-3.74
9 WHRHWRMWR

4.87

-8.39

-3.52
10 WHRHLRMWW

4.5

-7.9

-3.4
11 WRRHLRIWK

4.9

-7.93

-3.03
12 WHRHRRQWR

5.04

-8.06

-3.02
13 WHRHLRIWK

4.74

-7.6

-2.86
14 WRRHLRMWR

4.03

-6.86

-2.83
15 WHRHRRMWW

5.51

-8.33

-2.82
16 WHRHWRIWK

5.28

-8.08

-2.8
17 WHRHRRQWK

4.43

-7.19

-2.76
18 WHRHRRMWK

4.82

-7.49

-2.67
19 WHRHLRQWK

5.81

-8.39

-2.58
20 WRRHRRIWK

4.79

-7.37

-2.58
21 WHRHLRQWR

5.0

-7.38

-2.38
22 WHRHLRIWW

5.6

-7.73

-2.13
23 WKRHRRMWR

5.67

-7.76

-2.09
24 WHRHRRIWR

4.89

-6.97

-2.08
25 WHRHWRIWR

6.59

-8.63

-2.04
26 WHRHRRIWW

4.61

-6.52

-1.91
27 WRRHLRIWR

5.01

-6.79

-1.78
28 WRRHRRIWR

5.72

-7.45

-1.73
29 WHRHLRIWR

5.51

-7.23

-1.72
30 WHRHRRIWK

6.01

-7.55

-1.54

 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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