Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-29.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 0.879 ΔGbinding -0.870
TOTAL
 0.009
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.330
Van der Waals -3.975 Backbone clash 0.000
Electrostatics 0.031 Helix dipole 0.000
Solvation Polar 4.339 Water bridges -0.114
Solvation Hyd -5.368 Disulfide 0.000
VdW clashes 2.629 Electrost. Kon -0.044
Entropy sc 0.725 Part.cov.bonds 0.000
Entropy mc

3.128

 ΔGstability

63.437
       

Predicted ligand sequences for model [SLA1-D2_1OV33-29.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).
 
  SLA1-D2_1OV33-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYMPWHWKRH 0.0
2 DYMPWHWKRH 0.1
3 HYMPWHWKIH 0.11
4 HYMMWHWKRH 0.12
5 HYMFWHWKRH 0.14
6 HYMPWHWKFH 0.17
7 HYMPMHWKRH 0.17
8 HYMPWHWKRR 0.18
9 HYMPWHWRRH 0.2
10 DYMPWHWKIH 0.21
11 DYMMWHWKRH 0.22
12 HYMMWHWKIH 0.23
13 DYMFWHWKRH 0.24
14 RYMPWHWKRH 0.25
15 HYMFWHWKIH 0.25
16 DYMPMHWKRH 0.27
17 DYMPWHWKFH 0.27
18 HYMPMHWKIH 0.28
19 HYMPWHWKIR 0.28
20 HYMPWHWKRK 0.28
21 DYMPWHWKRR 0.28
22 HYMMMHWKRH 0.29
23 HYMMWHWKFH 0.3
24 HYMMWHWKRR 0.3
25 DYMPWHWRRH 0.3
26 HYMFMHWKRH 0.31
27 HYMPWPWKRH 0.31
28 HYMPWHWRIH 0.31
29 HYMMWHWRRH 0.32
30 HYMFWHWKFH 0.32
31 HYMFWHWKRR 0.32
32 HYMPKHWKRH 0.33
33 DYMMWHWKIH 0.33
34 HYMPMHWKFH 0.34
35 HYMPMHWKRR 0.34
36 HYMFWHWRRH 0.35
37 HYMPWHWKFR 0.35
38 DYMFWHWKIH 0.35
39 HWMPWHWKRH 0.36
40 RYMPWHWKIH 0.36
41 HYMPMHWRRH 0.37
42 RYMMWHWKRH 0.37
43 DYMPWHWKIR 0.38
44 HYMPWHWRRR 0.38
45 DYMPMHWKIH 0.38
46 HYMPWHWRFH 0.38
47 DYMPWHWKRK 0.38
48 HYMPWHWKIK 0.39
49 RYMFWHWKRH 0.39
50 DYMMMHWKRH 0.39
51 HYMMMHWKIH 0.4
52 DYMMWHWKRR 0.4
53 DYMMWHWKFH 0.4
54 HYMMWHWKRK 0.4
55 HYMPWPWKIH 0.41
56 DYMPWPWKRH 0.41
57 DYMFMHWKRH 0.41
58 DYMPWHWRIH 0.41
59 HYMMWHWKIR 0.41
60 HYMFMHWKIH 0.42
61 RYMPWHWKFH 0.42
62 DYMFWHWKRR 0.42
63 DYMMWHWRRH 0.42
64 DYMFWHWKFH 0.42
65 RYMPMHWKRH 0.42
66 RYMPWHWKRR 0.43
67 HYMFWHWKRK 0.43
68 HYMMWPWKRH 0.43
69 DYMPKHWKRH 0.43
70 HYMFWHWKIR 0.43
71 HYMMWHWRIH 0.43
72 DYMPMHWKRR 0.44
73 DYMPMHWKFH 0.44
74 HYMPKHWKIH 0.44
75 RYMPWHWRRH 0.45
76 HYMFWHWRIH 0.45
77 HYMPMHWKIR 0.45
78 DYMPWHWKFR 0.45
79 DYMFWHWRRH 0.45
80 HYMMKHWKRH 0.45
81 HYMFWPWKRH 0.45
82 HYMPMHWKRK 0.45
83 HYMPWFWKRH 0.46
84 DWMPWHWKRH 0.46
85 HYMPWHWKFK 0.46
86 HYMMWHWKFR 0.47
87 HYMPMPWKRH 0.47
88 HYMFKHWKRH 0.47
89 DYMPMHWRRH 0.47
90 HYMMMHWKRR 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HYMPWHWRIH

3.54

-11.63

-8.09
2 HYMPWHWKIH

3.37

-11.01

-7.64
3 DYMPMHWKRH

3.46

-11.01

-7.55
4 HYMMWHWRRH

2.61

-9.7

-7.09
5 DYMPWHWRRH

3.74

-10.65

-6.91
6 HYMPWHWKRK

2.43

-9.32

-6.89
7 DYMMWHWKRH

3.28

-10.12

-6.84
8 HYMPMHWKIH

3.49

-10.29

-6.8
9 DYMPWHWKRH

2.66

-9.32

-6.66
10 DYMPWHWKIH

3.33

-9.95

-6.62
11 HYMPWHWKIR

3.27

-9.71

-6.44
12 HYMFMHWKRH

3.31

-9.68

-6.37
13 HYMPMHWKRH

3.64

-9.87

-6.23
14 HYMMWHWKIH

4.02

-10.0

-5.98
15 HYMFWHWKRH

3.5

-9.26

-5.76
16 HYMPWPWKRH

3.45

-9.17

-5.72
17 DYMPWHWKRR

3.61

-9.3

-5.69
18 HYMPWHWRRH

3.33

-8.82

-5.49
19 HYMPWHWKRH

3.3

-8.36

-5.06
20 HYMMMHWKRH

4.12

-9.18

-5.06
21 DYMFWHWKRH

3.8

-8.72

-4.92
22 HYMMWHWKRR

3.48

-8.27

-4.79
23 RYMPWHWKRH

4.39

-9.12

-4.73
24 HYMFWHWKIH

4.53

-9.04

-4.51
25 DYMPWHWKFH

5.46

-9.53

-4.07
26 HYMPWHWKRR

4.2

-8.17

-3.97
27 HYMMWHWKRH

4.05

-7.84

-3.79
28 HYMFWHWKFH

5.38

-8.49

-3.11
29 HYMPWHWKFH

5.3

-8.23

-2.93
30 HYMMWHWKFH

5.19

-8.1

-2.91

 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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