Predicted ligand sequences


ADAN-name: 2AFF2.PDB (view again the scoring matrix)

PDB name: [2AFF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V D s Q G P p P V C p P T F L E R R K S
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A
A
A
G
 A
A
A
A
A
 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 5.558 ΔGbinding -14.602
TOTAL
 -9.044
Backbone Hb -6.738 Cis_bond 0.000
Sidechain Hb -8.850 Torsional clash 4.679
Van der Waals -11.637 Backbone clash 2.778
Electrostatics -1.638 Helix dipole -0.006
Solvation Polar 15.954 Water bridges -0.368
Solvation Hyd -14.874 Disulfide 0.000
VdW clashes 3.147 Electrost. Kon -1.337
Entropy sc 2.951 Part.cov.bonds 0.000
Entropy mc

4.113

 ΔGstability

58.982
       

Predicted ligand sequences for template [2AFF2.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).
 
  2AFF2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DsWDSWERHFRRsWYyQNRS 0.0
2 DsWDSWERHFRRsWYyGNRS 0.0
3 DsWDSWERHFRRDWYyDNRS 0.01
4 DsWDSWERHFRRDWYyQNRS 0.01
5 DsWDSWERHFRKsWYyGNRS 0.01
6 DsWDSWERHFRRsWYyDNRS 0.01
7 DsWDSWERHFRKsWYyDNRS 0.01
8 DsWDSWERHFRKsWYyQNRS 0.01
9 DsWDSWERHFRKDWYyGNRS 0.01
10 DsWDSWERHFRRDWYyGNRS 0.01
11 DsWDSWERHFRRsWYyQNRA 0.02
12 DDWDSWERHFRRsWYyQNRS 0.02
13 DsWDSWERHFRKDWYyDNRS 0.02
14 DDWDSWERHFRRsWYyGNRS 0.02
15 DsWDSWERHFRRsWYyDNRA 0.02
16 DsWDSWERHFRKDWYyQNRS 0.02
17 DsWDSWERHFRRsWYyGNRA 0.02
18 DsWDSWERHFRKsWYyGNRA 0.02
19 DsWDSWERHFRKsWYHGNRS 0.03
20 DsWDSWERHFRRsWYHGNRS 0.03
21 DDWDSWERHFRKsWYyGNRS 0.03
22 DsWDSWERHFRRDWYyDNRA 0.03
23 DsWDSWERHFRRDWYHGNRS 0.03
24 DDWDSWERHFRRDWYyQNRS 0.03
25 DsWDSWERHFRRDWYyQNRA 0.03
26 DsWDSWERHFRGsWYyGNRS 0.03
27 DsWDSWERHFRGsWYyDNRS 0.03
28 DDWDSWERHFRRDWYyDNRS 0.03
29 DsWDSWERHFRGsWYyQNRS 0.03
30 DDWDSWERHFRKsWYyDNRS 0.03
31 DDWDSWERHFRRDWYyGNRS 0.03
32 DDWDSWERHFRRsWYyDNRS 0.03
33 DsWDSWERHFRRsWYHDNRS 0.03
34 DsWDSWERHFRRsWYRGNRS 0.03
35 DsWDSWERHFRKsWYyDNRA 0.03
36 DsWDSWERHFRKsWYyQNRA 0.03
37 DsWDSWERHFRKDWYyGNRA 0.03
38 DsWDSWERHFRRsWYHQNRS 0.03
39 DDWDSWERHFRKDWYyGNRS 0.03
40 DDWDSWERHFRKsWYyQNRS 0.03
41 DsWDSWERHFRRDWYyGNRA 0.03
42 DsWDSWERHFRRsWYHGNRA 0.04
43 DsWDSWERHFRKsWYRDNRS 0.04
44 DDWDSWERHFRKsWYyGNRA 0.04
45 DDWDSWERHFRKDWYyDNRS 0.04
46 DDWDSWERHFRRsWYyQNRA 0.04
47 DsWDSWERHFRKDWYyDNRA 0.04
48 DsWDSWERHFRRDWYRGNRS 0.04
49 DsWDSEERHFRRsWYyDNRS 0.04
50 DDWDSWERHFRRsWYyGNRA 0.04
51 DsWDSWERHFRGDWYyGNRS 0.04
52 DsWDSWERHFRRsWYRDNRS 0.04
53 DsWDSEERHFRRsWYyQNRS 0.04
54 DsWDSWERHFRKDWYHGNRS 0.04
55 DsWDSWERHFRGDWYyDNRS 0.04
56 DsWDSWERHFRKDWYRGNRS 0.04
57 DsWDSWERHFRKDWYyQNRA 0.04
58 DDWDSWERHFRKDWYyQNRS 0.04
59 DsWDSWERHFRRDWYRDNRS 0.04
60 DsWDSWERHFRKDWYHDNRS 0.04
61 DsWDSWERHFRRDWYRQNRS 0.04
62 DsWDSWERHFRRsWYyGNRG 0.04
63 DsWDSWERHFRRDWYHQNRS 0.04
64 DDWDSWERHFRRsWYyDNRA 0.04
65 DsWDSWERHFRRsWYRQNRS 0.04
66 DsWDSWERHFRKsWYHDNRS 0.04
67 DsWDSWERHFRRDWYHDNRS 0.04
68 DsWDSWERHFRKDWYHQNRS 0.04
69 DsWDSWERHFRGDWYyQNRS 0.04
70 DsWDSWERHFRKsWYRQNRS 0.04
71 DsWDSWERHFRKsWYHQNRS 0.04
72 DsWDSWERHFRKsWYRGNRS 0.04
73 DsWDSEERHFRRsWYyGNRS 0.04
74 DsWDSEERHFRKsWYyGNRS 0.04
75 DsWDSWERHFRKsWYHGNRA 0.05
76 DDWDSWERHFRGsWYyGNRS 0.05
77 DsWDSEERHFRKsWYyQNRS 0.05
78 DDWDSWERHFRRDWYyGNRA 0.05
79 DsWDSWERHFRRsWYyQNRG 0.05
80 DDWDSWERHFRRDWYyQNRA 0.05
81 DDWDSWERHFRKsWYHGNRS 0.05
82 DDWDSWERHFRRsWYRGNRS 0.05
83 DsWDSWERHFRRsWYRDNRA 0.05
84 DsWDSEERHFRRDWYyQNRS 0.05
85 DDWDSWERHFRRsWYHQNRS 0.05
86 DsWDSWERHFRGsWYyGNRA 0.05
87 DsWDSWERHFRGsWYyDNRA 0.05
88 DDWDSWERHFRGsWYyQNRS 0.05
89 DsWDSWERHFRRsWYRQNRA 0.05
90 DsWDSEERHFRKDWYyGNRS 0.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDWDSWERHFRRDWYyQNRS

7.39

-27.7

-20.31
2 DsWDSWERHFRKsWYyGNRS

7.85

-27.96

-20.11
3 DDWDSWERHFRRsWYyGNRS

7.52

-27.42

-19.9
4 DsWDSWERHFRRDWYyGNRS

6.08

-25.82

-19.74
5 DsWDSWERHFRRDWYyQNRS

7.12

-26.62

-19.5
6 DsWDSWERHFRKsWYyQNRS

7.57

-26.93

-19.36
7 DsWDSWERHFRKDWYyQNRS

7.41

-26.63

-19.22
8 DsWDSWERHFRKsWYHGNRS

7.19

-26.16

-18.97
9 DsWDSWERHFRRsWYyQNRS

7.02

-25.93

-18.91
10 DsWDSWERHFRRDWYyQNRA

6.99

-25.61

-18.62
11 DsWDSWERHFRRsWYyGNRA

7.12

-25.59

-18.47
12 DsWDSWERHFRKsWYyGNRA

7.48

-25.66

-18.18
13 DsWDSWERHFRGsWYyDNRS

7.57

-25.63

-18.06
14 DDWDSWERHFRKsWYyGNRS

7.23

-25.27

-18.04
15 DsWDSWERHFRRDWYHGNRS

7.36

-25.36

-18.0
16 DsWDSWERHFRRsWYyDNRS

7.77

-25.34

-17.57
17 DsWDSWERHFRGsWYyQNRS

7.38

-24.67

-17.29
18 DsWDSWERHFRKsWYyDNRS

6.52

-23.79

-17.27
19 DsWDSWERHFRRsWYHGNRS

7.51

-24.75

-17.24
20 DDWDSWERHFRKsWYyDNRS

6.87

-23.96

-17.09
21 DDWDSWERHFRRDWYyDNRS

7.0

-23.3

-16.3
22 DsWDSWERHFRKDWYyDNRS

6.42

-22.64

-16.22
23 DsWDSWERHFRRsWYyDNRA

8.75

-24.9

-16.15
24 DsWDSWERHFRRDWYyDNRA

7.46

-23.12

-15.66
25 DDWDSWERHFRRsWYyQNRS

7.4

-22.19

-14.79
26 DsWDSWERHFRRsWYyQNRA

8.52

-23.27

-14.75
27 DsWDSWERHFRGsWYyGNRS

8.28

-22.82

-14.54
28 DsWDSWERHFRRsWYyGNRS

6.4

-20.83

-14.43
29 DsWDSWERHFRKDWYyGNRS

7.65

-21.97

-14.32
30 DsWDSWERHFRRDWYyDNRS

7.48

-21.58

-14.1

 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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