Predicted ligand sequences


ADAN-name: 1A813.PDB (view again the scoring matrix)

PDB name: [1A81.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P D y E P I R K G
position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
y
 A
A
A
 A
A
G

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 8.297 ΔGbinding -9.300
TOTAL
 -1.003
Backbone Hb -2.760 Cis_bond 0.000
Sidechain Hb -3.790 Torsional clash 0.280
Van der Waals -8.070 Backbone clash 1.190
Electrostatics -5.920 Helix dipole 0.000
Solvation Polar 12.710 Water bridges -0.840
Solvation Hyd -8.700 Disulfide 0.000
VdW clashes 0.900 Electrost. Kon -3.190
Entropy sc 6.300 Part.cov.bonds 0.000
Entropy mc

3.780

 ΔGstability

82.780
       

Predicted ligand sequences for template [1A813.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).
 
  1A813.PDB  

(data)
# Predicted Sequences Value Calculate
1 EsyLyMyKR 0.0
2 EsyyyMyKR 0.03
3 EsyLyMyKH 0.05
4 EsyyyMyKH 0.08
5 EsyLyMyKF 0.08
6 EsyyyMyKF 0.11
7 EsyLRMyKR 0.13
8 EsyLyMyRR 0.14
9 EsyyRMyKR 0.15
10 EsyyyMyRR 0.17
11 EWyLyMyKR 0.17
12 EsyLRMyKH 0.17
13 DsyLyMyKR 0.17
14 EsyLyMyHR 0.18
15 EsyLyMyRH 0.19
16 EWyyyMyKR 0.19
17 EEyLyMyKR 0.2
18 DsyyyMyKR 0.2
19 EsyyRMyKH 0.2
20 EsyLRMyKF 0.21
21 EsyyyMyHR 0.21
22 EsyyyMyRH 0.22
23 EWyLyMyKH 0.22
24 EsyIyMyKR 0.22
25 DsyLyMyKH 0.22
26 ssyLyMyKR 0.22
27 EsyLyMyRF 0.22
28 EsyLyMyHH 0.23
29 EEyyyMyKR 0.23
30 EsyyRMyKF 0.23
31 EWyyyMyKH 0.24
32 EsyLsMyKR 0.25
33 EsyyyMyRF 0.25
34 EWyLyMyKF 0.25
35 EEyLyMyKH 0.25
36 DsyLyMyKF 0.25
37 DsyyyMyKH 0.25
38 ssyyyMyKR 0.25
39 EsyLyMyHF 0.26
40 EsyyyMyHH 0.26
41 ssyLyMyKH 0.27
42 EsyLRMyRR 0.27
43 EsyIyMyKH 0.27
44 EWyyyMyKF 0.27
45 EsyysMyKR 0.28
46 EEyLyMyKF 0.28
47 EEyyyMyKH 0.28
48 DsyyyMyKF 0.28
49 ssyyyMyKH 0.29
50 EsyyRMyRR 0.29
51 EWyLRMyKR 0.29
52 DsyLRMyKR 0.29
53 EsyyyMyHF 0.29
54 EsyLsMyKH 0.3
55 ssyLyMyKF 0.3
56 EsyIyMyKF 0.3
57 DsyLyMyRR 0.31
58 EEyyyMyKF 0.31
59 EWyLyMyRR 0.31
60 EsyLRMyHR 0.31
61 EWyyRMyKR 0.32
62 EsyLRMyRH 0.32
63 DsyyRMyKR 0.32
64 EsyLsMyKF 0.33
65 ssyyyMyKF 0.33
66 EWyyyMyRR 0.33
67 EsyysMyKH 0.33
68 EEyLRMyKR 0.33
69 DWyLyMyKR 0.33
70 EsyyRMyHR 0.34
71 EsyyRMyRH 0.34
72 ssyLRMyKR 0.34
73 EsyIRMyKR 0.34
74 EWyLRMyKH 0.34
75 DsyyyMyRR 0.34
76 DsyLRMyKH 0.34
77 EEyLyMyRR 0.34
78 EWyLyMyHR 0.35
79 EsyLRMyRF 0.35
80 DsyLyMyHR 0.35
81 EEyyRMyKR 0.35
82 EsyysMyKF 0.36
83 EsyIyMyRR 0.36
84 DsyLyMyRH 0.36
85 ssyLyMyRR 0.36
86 EWyLyMyRH 0.36
87 EsyLRMyHH 0.36
88 DWyyyMyKR 0.36
89 DEyLyMyKR 0.37
90 EWyyRMyKH 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EsyyyMyKH

6.35

-15.85

-9.5
2 EsyyyMyRH

6.32

-15.58

-9.26
3 EsyyyMyKR

6.37

-15.62

-9.25
4 EsyyyMyHR

6.36

-15.34

-8.98
5 DsyyyMyKR

6.26

-15.22

-8.96
6 EEyyyMyKR

6.24

-14.93

-8.69
7 EsyyyMyRR

7.03

-15.46

-8.43
8 EsyyyMyKF

6.87

-15.27

-8.4
9 EsyyRMyKF

7.82

-15.4

-7.58
10 EsyLyMyRF

6.43

-14.0

-7.57
11 EsyLyMyKR

6.3

-13.86

-7.56
12 EsyIyMyKR

6.18

-13.72

-7.54
13 DsyLyMyKH

6.06

-13.59

-7.53
14 EsyLyMyKH

6.38

-13.8

-7.42
15 EsyyRMyKH

7.83

-15.24

-7.41
16 ssyLyMyKR

6.24

-13.51

-7.27
17 EWyyyMyKR

6.25

-13.5

-7.25
18 EEyLyMyKR

6.33

-13.45

-7.12
19 EsyyRMyKR

8.08

-15.17

-7.09
20 EsyLyMyHR

6.65

-13.72

-7.07
21 DsyLyMyKR

6.51

-13.49

-6.98
22 EsyLyMyKF

7.04

-13.76

-6.72
23 EsyLyMyRR

7.06

-13.34

-6.28
24 EsyLyMyHH

7.39

-13.59

-6.2
25 EsyLRMyKR

7.54

-13.58

-6.04
26 EsyLyMyRH

6.94

-12.71

-5.77
27 EsyLRMyKF

7.92

-13.65

-5.73
28 EsyLRMyKH

7.71

-13.3

-5.59
29 EWyLyMyKR

7.0

-10.73

-3.73
30 EWyLyMyKH

7.09

-10.66

-3.57

 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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