Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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 1.151 ΔGbinding 5.319
TOTAL
 6.470
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.437
Van der Waals -3.129 Backbone clash 0.061
Electrostatics -0.256 Helix dipole 0.000
Solvation Polar 3.124 Water bridges -0.021
Solvation Hyd -4.534 Disulfide 0.000
VdW clashes 7.969 Electrost. Kon -0.270
Entropy sc 0.365 Part.cov.bonds 0.000
Entropy mc

1.633

 ΔGstability

79.491
       

Predicted ligand sequences for model [SDC25_1OV32-13.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).
 
  SDC25_1OV32-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 HHEIIFEE 0.0
2 HHEWIFEE 0.04
3 HKEIIFEE 0.04
4 HPEIIFEE 0.05
5 HKEWIFEE 0.08
6 HPEWIFEE 0.09
7 HHRIIFEE 0.12
8 HHPIIFEE 0.13
9 HKRIIFEE 0.16
10 HHRWIFEE 0.16
11 HKPIIFEE 0.17
12 HPPIIFEE 0.17
13 HHPWIFEE 0.17
14 HPRIIFEE 0.17
15 HHELIFEE 0.18
16 HHEIIPEE 0.2
17 HKRWIFEE 0.2
18 HKPWIFEE 0.2
19 HPPWIFEE 0.21
20 HPRWIFEE 0.21
21 HKELIFEE 0.21
22 HPELIFEE 0.22
23 HHEWIPEE 0.24
24 HKEIIPEE 0.24
25 HPEIIPEE 0.25
26 HHEIIEEE 0.27
27 HKEWIPEE 0.28
28 HHRLIFEE 0.29
29 HPEWIPEE 0.29
30 HHPLIFEE 0.3
31 HKEIIEEE 0.31
32 HHEWIEEE 0.31
33 HHRIIPEE 0.32
34 HPEIIEEE 0.32
35 HHPIIPEE 0.33
36 HKRLIFEE 0.33
37 HPRLIFEE 0.34
38 HKPLIFEE 0.34
39 HPPLIFEE 0.35
40 HHRWIPEE 0.35
41 HKRIIPEE 0.35
42 HKEWIEEE 0.35
43 HHPWIPEE 0.36
44 HPEWIEEE 0.36
45 HPRIIPEE 0.36
46 HKPIIPEE 0.36
47 HPPIIPEE 0.37
48 HHELIPEE 0.38
49 HHRIIEEE 0.39
50 HKRWIPEE 0.39
51 HPRWIPEE 0.4
52 HHPIIEEE 0.4
53 HKPWIPEE 0.4
54 HKELIPEE 0.41
55 HHEIEFEE 0.41
56 HPPWIPEE 0.41
57 HPELIPEE 0.42
58 HHRWIEEE 0.43
59 HKRIIEEE 0.43
60 HKPIIEEE 0.44
61 HPRIIEEE 0.44
62 HHPWIEEE 0.44
63 HHELIEEE 0.45
64 HKEIEFEE 0.45
65 HPPIIEEE 0.45
66 HHEWEFEE 0.45
67 HPEIEFEE 0.46
68 HHEIIFED 0.46
69 MHEIIFEE 0.47
70 WHEIIFEE 0.47
71 HKRWIEEE 0.47
72 HPRWIEEE 0.48
73 HKPWIEEE 0.48
74 HHRLIPEE 0.49
75 HKEWEFEE 0.49
76 HKELIEEE 0.49
77 HPPWIEEE 0.49
78 MKEIIFEE 0.5
79 HHEWIFED 0.5
80 MHEWIFEE 0.5
81 HPEWEFEE 0.5
82 HPELIEEE 0.5
83 HHPLIPEE 0.5
84 HKEIIFED 0.5
85 HPEIIFED 0.51
86 MPEIIFEE 0.51
87 WKEIIFEE 0.51
88 WHEWIFEE 0.51
89 WPEIIFEE 0.52
90 HHRIEFEE 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HPELIFEE

2.77

-6.55

-3.78
2 HPRIIFEE

3.73

-7.14

-3.41
3 HKELIFEE

3.64

-6.52

-2.88
4 HPEIIPEE

4.07

-6.93

-2.86
5 HPEWIPEE

3.4

-6.03

-2.63
6 HPPWIFEE

3.96

-6.54

-2.58
7 HKEIIPEE

4.44

-6.82

-2.38
8 HPEIIFEE

5.09

-7.35

-2.26
9 HPEWIFEE

4.04

-5.86

-1.82
10 HPPIIFEE

4.55

-6.26

-1.71
11 HHRIIFEE

3.7

-5.31

-1.61
12 HHEIIFEE

3.91

-5.37

-1.46
13 HHPLIFEE

3.54

-4.91

-1.37
14 HPRWIFEE

3.48

-4.74

-1.26
15 HHPIIFEE

3.57

-4.7

-1.13
16 HKRWIFEE

4.31

-5.25

-0.94
17 HKPIIFEE

3.53

-4.47

-0.94
18 HHELIFEE

3.4

-4.33

-0.93
19 HHEIIPEE

3.51

-4.32

-0.81
20 HHPWIFEE

3.2

-3.86

-0.66
21 HKEIIFEE

4.15

-4.57

-0.42
22 HHEIIEEE

3.56

-3.91

-0.35
23 HHEWIFEE

3.53

-3.85

-0.32
24 HKEWIFEE

4.13

-4.3

-0.17
25 HKPWIFEE

4.09

-4.19

-0.1
26 HHRLIFEE

4.37

-4.37

0.0
27 HKRIIFEE

3.17

-3.05

0.12
28 HHEWIPEE

4.21

-3.78

0.43
29 HKEWIPEE

4.36

-2.93

1.43
30 HHRWIFEE

4.0

-1.58

2.42

 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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