Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 1.074 ΔGbinding 0.215
TOTAL
 1.289
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.701
Van der Waals -3.414 Backbone clash 0.065
Electrostatics 0.185 Helix dipole 0.000
Solvation Polar 3.947 Water bridges -0.002
Solvation Hyd -4.714 Disulfide 0.000
VdW clashes 0.508 Electrost. Kon 0.134
Entropy sc 0.517 Part.cov.bonds 0.000
Entropy mc

3.629

 ΔGstability

63.440
       

Predicted ligand sequences for model [SLA1-D2_1OV33-11.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_1OV33-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPMPRM 0.0
2 RKWMPRM 0.01
3 RKPMPPM 0.02
4 RKWMPPM 0.03
5 RKRMPRM 0.17
6 RKRMPPM 0.19
7 RMPMPRM 0.19
8 RKPIPRM 0.2
9 RMWMPRM 0.2
10 RKPMPKM 0.2
11 RMPMPPM 0.21
12 RKWMPKM 0.21
13 RKWIPRM 0.21
14 RMWMPPM 0.22
15 RKPIPPM 0.22
16 RKWIPPM 0.23
17 RKPMPRL 0.3
18 RKWMPRL 0.31
19 RKPMPPL 0.32
20 RKWMPPL 0.33
21 RMRMPRM 0.36
22 RKRIPRM 0.37
23 RKRMPKM 0.37
24 RMRMPPM 0.38
25 RKPIPKM 0.39
26 RMPIPRM 0.39
27 RMPMPKM 0.39
28 RKRIPPM 0.39
29 RMWMPKM 0.4
30 RMWIPRM 0.4
31 RMPIPPM 0.41
32 RKWIPKM 0.41
33 RMWIPPM 0.42
34 RKPMPRK 0.42
35 RKPMPPK 0.43
36 RKWMPRK 0.43
37 RKWMPPK 0.45
38 RKRMPRL 0.47
39 RKRMPPL 0.49
40 RKPIPRL 0.49
41 RKPMPKL 0.49
42 RMPMPRL 0.49
43 RMWMPRL 0.5
44 RMPMPPL 0.51
45 RKPIPPL 0.51
46 RKWMPKL 0.51
47 RKWIPRL 0.51
48 RMWMPPL 0.52
49 RKWIPPL 0.53
50 RMRMPKM 0.56
51 RMRIPRM 0.56
52 RKRIPKM 0.56
53 RMRIPPM 0.58
54 RMPIPKM 0.58
55 RKRMPRK 0.59
56 RMWIPKM 0.6
57 RKRMPPK 0.61
58 RKPMPKK 0.61
59 RKPIPRK 0.61
60 RMPMPRK 0.61
61 RMPMPPK 0.62
62 RKWMPKK 0.62
63 RMWMPRK 0.62
64 RKPIPPK 0.63
65 RKWIPRK 0.63
66 RMWMPPK 0.64
67 RKWIPPK 0.65
68 RMRMPRL 0.66
69 RKRMPKL 0.66
70 RKRIPRL 0.67
71 RMRMPPL 0.68
72 RMPMPKL 0.68
73 RKRIPPL 0.68
74 RKPIPKL 0.69
75 RMPIPRL 0.69
76 RMPIPPL 0.7
77 RKWIPKL 0.7
78 RMWMPKL 0.7
79 RMWIPRL 0.7
80 RMWIPPL 0.72
81 RMRIPKM 0.75
82 RMRMPRK 0.78
83 RKRMPKK 0.78
84 RKRIPRK 0.79
85 RMRMPPK 0.8
86 RMPIPRK 0.8
87 RMPMPKK 0.8
88 RKRIPPK 0.8
89 RKPIPKK 0.81
90 RMWMPKK 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMRMPPM

3.17

-9.23

-6.06
2 RKPIPPM

2.88

-8.72

-5.84
3 RMPMPPM

2.91

-8.75

-5.84
4 RMPMPRM

2.95

-8.75

-5.8
5 RMPMPKM

3.46

-8.98

-5.52
6 RKPMPPL

2.97

-8.33

-5.36
7 RMWMPRM

3.44

-8.7

-5.26
8 RKWMPRL

3.36

-8.39

-5.03
9 RKPIPRM

3.71

-8.36

-4.65
10 RKRIPRM

3.06

-7.63

-4.57
11 RMWIPRM

3.17

-7.7

-4.53
12 RMWMPPM

2.66

-7.18

-4.52
13 RKRMPKM

2.98

-7.38

-4.4
14 RKPMPKM

3.13

-7.45

-4.32
15 RMRMPRM

3.73

-7.96

-4.23
16 RMPIPRM

3.68

-7.85

-4.17
17 RKRMPPM

3.7

-7.86

-4.16
18 RMWMPKM

3.27

-7.18

-3.91
19 RKPIPKM

3.02

-6.92

-3.9
20 RKRMPRM

2.97

-6.58

-3.61
21 RKPMPRM

2.98

-6.57

-3.59
22 RKWMPPM

3.17

-6.55

-3.38
23 RKPMPPM

4.32

-7.55

-3.23
24 RKWIPRM

3.4

-6.38

-2.98
25 RKWIPPM

3.51

-6.3

-2.79
26 RKWMPPL

3.14

-5.89

-2.75
27 RKRIPPM

3.65

-6.35

-2.7
28 RKWMPKM

3.54

-6.2

-2.66
29 RKPMPRL

4.37

-6.76

-2.39
30 RKWMPRM

4.21

-6.5

-2.29

 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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