Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-2.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 2.420 ΔGbinding -3.790
TOTAL
 -1.370
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.815
Van der Waals -5.697 Backbone clash 0.129
Electrostatics -0.513 Helix dipole 0.000
Solvation Polar 6.996 Water bridges 0.000
Solvation Hyd -7.991 Disulfide 0.000
VdW clashes 1.592 Electrost. Kon -0.507
Entropy sc 1.409 Part.cov.bonds 0.000
Entropy mc

2.655

 ΔGstability

59.655
       

Predicted ligand sequences for model [SLA1-D2_1OV33-2.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_1OV33-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MVMHRHKRMR 0.0
2 MVHHRHKRMR 0.0
3 MVMHRHKDMR 0.04
4 MVHHRHKDMR 0.04
5 MVHHRHKKMR 0.06
6 MVMHRHKKMR 0.06
7 MVMHRRKRMR 0.09
8 MVHHRRKRMR 0.09
9 MVHHRHMRMR 0.1
10 MVMHRHMRMR 0.1
11 MVIHRHKRMR 0.11
12 MVMHRHIRMR 0.13
13 MVHHRHIRMR 0.13
14 MVMHRRKDMR 0.13
15 MVHHRRKDMR 0.13
16 MVMHRHMDMR 0.14
17 MVHHRHMDMR 0.14
18 MVMHRRKKMR 0.15
19 MVHHRRKKMR 0.15
20 MVIHRHKDMR 0.15
21 MVHHRHMKMR 0.16
22 MVMHRHMKMR 0.16
23 MVMHRHIDMR 0.17
24 MVHHRHIDMR 0.17
25 MVIHRHKKMR 0.18
26 MVHHRRMRMR 0.19
27 MVMHRRMRMR 0.19
28 MVMHRHIKMR 0.19
29 MVHHRHIKMR 0.19
30 MVIHRRKRMR 0.2
31 MLHHRHKRMR 0.2
32 MLMHRHKRMR 0.2
33 MVIHRHMRMR 0.21
34 MVMHRRIRMR 0.22
35 MVHHRRIRMR 0.22
36 MVHHRRMDMR 0.23
37 MVMHRRMDMR 0.23
38 MLMHRHKDMR 0.24
39 MVIHRRKDMR 0.24
40 MLHHRHKDMR 0.24
41 MVMHRRMKMR 0.25
42 MVHHRRMKMR 0.25
43 MVIHRHMDMR 0.25
44 MVIHRHIRMR 0.25
45 MVMHRRIDMR 0.26
46 MVHHRRIDMR 0.26
47 MLMHRHKKMR 0.26
48 MLHHRHKKMR 0.26
49 MVIHRRKKMR 0.27
50 MVIHRHMKMR 0.27
51 MVIHRHIDMR 0.28
52 MVHHRRIKMR 0.28
53 MVMHRRIKMR 0.28
54 MLMHRRKRMR 0.29
55 MLHHRRKRMR 0.29
56 MVIHRRMRMR 0.3
57 MLHHRHMRMR 0.3
58 MLMHRHMRMR 0.3
59 MVIHRHIKMR 0.31
60 MIHHRHKRMR 0.32
61 MLIHRHKRMR 0.32
62 MIMHRHKRMR 0.32
63 MLMHRRKDMR 0.33
64 MLMHRHIRMR 0.33
65 MLHHRRKDMR 0.33
66 MLHHRHIRMR 0.33
67 MVIHRRMDMR 0.34
68 MLHHRHMDMR 0.34
69 MLMHRHMDMR 0.34
70 MVIHRRIRMR 0.34
71 MLMHRRKKMR 0.35
72 MLIHRHKDMR 0.35
73 MLHHRRKKMR 0.35
74 MIMHRHKDMR 0.36
75 MIHHRHKDMR 0.36
76 MVIHRRMKMR 0.36
77 MLMHRHMKMR 0.36
78 MLHHRHMKMR 0.36
79 MLHHRHIDMR 0.37
80 MLMHRHIDMR 0.37
81 MIHHRHKKMR 0.38
82 MIMHRHKKMR 0.38
83 RVHHRHKRMR 0.38
84 MLIHRHKKMR 0.38
85 MVIHRRIDMR 0.38
86 RVMHRHKRMR 0.38
87 MLMHRRMRMR 0.39
88 YVMHRHKRMR 0.39
89 MLHHRRMRMR 0.39
90 YVHHRHKRMR 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MVHHRRMRMR

5.2

-14.06

-8.86
2 MVHHRHIDMR

4.39

-11.56

-7.17
3 MVHHRHMKMR

5.7

-12.75

-7.05
4 MVMHRHKRMR

4.29

-11.07

-6.78
5 MVMHRRKKMR

4.69

-11.2

-6.51
6 MVHHRRKRMR

4.88

-11.21

-6.33
7 MVMHRRMRMR

5.65

-11.84

-6.19
8 MVMHRHKDMR

4.45

-10.32

-5.87
9 MVHHRHMRMR

3.94

-9.58

-5.64
10 MVMHRHIKMR

4.91

-10.44

-5.53
11 MVHHRHIKMR

3.8

-9.32

-5.52
12 MVMHRHMDMR

4.15

-9.56

-5.41
13 MVMHRHMKMR

4.78

-9.96

-5.18
14 MVHHRHMDMR

4.71

-9.84

-5.13
15 MVHHRRKDMR

4.27

-9.28

-5.01
16 MVHHRRKKMR

5.63

-10.43

-4.8
17 MVIHRHKKMR

5.02

-9.68

-4.66
18 MVHHRHIRMR

5.14

-9.79

-4.65
19 MVHHRHKRMR

4.44

-9.07

-4.63
20 MVHHRHKKMR

4.61

-9.22

-4.61
21 MVIHRHKDMR

4.25

-8.77

-4.52
22 MVMHRHMRMR

4.16

-8.5

-4.34
23 MVMHRHIDMR

4.66

-8.97

-4.31
24 MVMHRHIRMR

4.02

-8.19

-4.17
25 MVMHRHKKMR

3.99

-7.98

-3.99
26 MVHHRHKDMR

4.87

-8.52

-3.65
27 MVIHRRKRMR

6.26

-9.8

-3.54
28 MVMHRRKDMR

5.38

-8.85

-3.47
29 MVIHRHKRMR

4.85

-8.3

-3.45
30 MVMHRRKRMR

5.37

-8.57

-3.2

 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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