Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-20.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
poly-Ala
A
 A
A
A
A
G
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 2.485 ΔGbinding -2.505
TOTAL
 -0.020
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.038
Van der Waals -5.223 Backbone clash 0.210
Electrostatics 0.271 Helix dipole 0.000
Solvation Polar 6.008 Water bridges -0.225
Solvation Hyd -7.239 Disulfide 0.000
VdW clashes 0.726 Electrost. Kon 0.193
Entropy sc 1.267 Part.cov.bonds 0.000
Entropy mc

4.229

 ΔGstability

60.000
       

Predicted ligand sequences for model [SLA1-D2_1OV33-20.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_1OV33-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRRRGRHF 0.0
2 RMHRRGRHF 0.16
3 RMYRRGRHF 0.18
4 RMKRRGRHF 0.18
5 RMPRRGRHF 0.19
6 RMRRRGRHI 0.39
7 RRRRRGRHF 0.53
8 RMHRRGRHI 0.56
9 RMKRRGRHI 0.57
10 RMYRRGRHI 0.58
11 RMPRRGRHI 0.58
12 RMRIRGRHF 0.59
13 RRHRRGRHF 0.69
14 RRYRRGRHF 0.71
15 RRKRRGRHF 0.71
16 RRPRRGRHF 0.72
17 RMHIRGRHF 0.75
18 RMRRRGRHH 0.77
19 RMPIRGRHF 0.77
20 RMKIRGRHF 0.77
21 RMYIRGRHF 0.77
22 RIRRRGRHF 0.78
23 RMRRRGRSF 0.78
24 RMRRRGRHL 0.79
25 RRRRRGRHI 0.92
26 RMHRRGRHH 0.93
27 RMHRRGRSF 0.94
28 RIHRRGRHF 0.94
29 RMHRRGRHL 0.95
30 RMYRRGRHH 0.95
31 RMKRRGRHH 0.95
32 RIYRRGRHF 0.96
33 RMPRRGRSF 0.96
34 RMYRRGRSF 0.96
35 RMKRRGRSF 0.96
36 RIKRRGRHF 0.96
37 RMPRRGRHH 0.96
38 RMYRRGRHL 0.97
39 RMKRRGRHL 0.97
40 RIPRRGRHF 0.97
41 RMPRRGRHL 0.97
42 RMRIRGRHI 0.98
43 RRHRRGRHI 1.09
44 RRKRRGRHI 1.1
45 RRYRRGRHI 1.11
46 RRPRRGRHI 1.11
47 RRRIRGRHF 1.12
48 RMHIRGRHI 1.14
49 RMKIRGRHI 1.16
50 RIRRRGRHI 1.17
51 RMPIRGRHI 1.17
52 RMRRRGRSI 1.17
53 RMYIRGRHI 1.17
54 RRHIRGRHF 1.28
55 RRKIRGRHF 1.3
56 RRRRRGRHH 1.3
57 RRPIRGRHF 1.3
58 RRYIRGRHF 1.3
59 RRRRRGRSF 1.31
60 RRRRRGRHL 1.32
61 RMHRRGRSI 1.33
62 RIHRRGRHI 1.34
63 RMYRRGRSI 1.35
64 RMKRRGRSI 1.35
65 RIKRRGRHI 1.35
66 RMRIRGRSF 1.36
67 RIYRRGRHI 1.36
68 RMPRRGRSI 1.36
69 RMRIRGRHH 1.36
70 RIPRRGRHI 1.36
71 RIRIRGRHF 1.37
72 RMRIRGRHL 1.38
73 RRHRRGRHH 1.46
74 RRHRRGRSF 1.47
75 RRYRRGRHH 1.48
76 RRKRRGRSF 1.48
77 RRHRRGRHL 1.48
78 RRKRRGRHH 1.48
79 RRYRRGRSF 1.49
80 RRPRRGRHH 1.49
81 RRPRRGRSF 1.49
82 RRYRRGRHL 1.5
83 RRPRRGRHL 1.5
84 RRKRRGRHL 1.5
85 RRRIRGRHI 1.51
86 RMHIRGRHH 1.52
87 RIHIRGRHF 1.53
88 RMHIRGRSF 1.53
89 RMHIRGRHL 1.54
90 RMPIRGRHH 1.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRRRGRHF

5.17

-14.34

-9.17
2 RMYRRGRHI

4.29

-13.39

-9.1
3 RMKRRGRHF

5.19

-13.32

-8.13
4 RMHRRGRHL

6.2

-14.29

-8.09
5 RRHRRGRHF

7.09

-14.62

-7.53
6 RMRRRGRHI

4.32

-11.82

-7.5
7 RMHRRGRSF

6.15

-13.54

-7.39
8 RMPRRGRHI

5.2

-12.36

-7.16
9 RMRRRGRHL

5.22

-12.37

-7.15
10 RMRRRGRSF

5.78

-12.7

-6.92
11 RRPRRGRHF

5.13

-11.7

-6.57
12 RMKRRGRHI

4.47

-10.64

-6.17
13 RMYRRGRHF

5.16

-10.93

-5.77
14 RMHIRGRHF

7.04

-12.71

-5.67
15 RMHRRGRHF

5.34

-10.94

-5.6
16 RRRRRGRHI

4.33

-9.91

-5.58
17 RMKIRGRHF

6.52

-12.05

-5.53
18 RRKRRGRHF

5.44

-10.97

-5.53
19 RMPRRGRHF

5.38

-10.89

-5.51
20 RRRRRGRHF

5.08

-10.57

-5.49
21 RMRIRGRHF

6.03

-11.31

-5.28
22 RMYIRGRHF

6.35

-11.53

-5.18
23 RIRRRGRHF

5.84

-10.93

-5.09
24 RRYRRGRHF

5.89

-10.89

-5.0
25 RMRRRGRHH

5.82

-10.53

-4.71
26 RMYRRGRHH

5.17

-9.4

-4.23
27 RIHRRGRHF

5.98

-10.14

-4.16
28 RMHRRGRHI

5.42

-9.53

-4.11
29 RMPIRGRHF

7.09

-10.97

-3.88
30 RMHRRGRHH

5.55

-8.1

-2.55

 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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