Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-4.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 2.795 ΔGbinding -3.246
TOTAL
 -0.451
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.819
Van der Waals -5.730 Backbone clash 0.061
Electrostatics -0.534 Helix dipole 0.000
Solvation Polar 7.068 Water bridges 0.000
Solvation Hyd -8.080 Disulfide 0.000
VdW clashes 2.539 Electrost. Kon -0.486
Entropy sc 1.334 Part.cov.bonds 0.000
Entropy mc

2.372

 ΔGstability

67.373
       

Predicted ligand sequences for model [SLA1-D2_1OV33-4.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_1OV33-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 WLRRRPRRMK 0.0
2 WLPRRPRPMK 0.0
3 WLPRRPRRMK 0.0
4 WLRRRPRPMK 0.01
5 YLPRRPRRMK 0.12
6 YLPRRPRPMK 0.13
7 YLRRRPRPMK 0.13
8 YLRRRPRRMK 0.13
9 MLRRRPRRMK 0.14
10 MLPRRPRRMK 0.14
11 MLPRRPRPMK 0.14
12 MLRRRPRPMK 0.15
13 WLPRKPRRMK 0.17
14 WLRRHPRRMK 0.17
15 WLRRKPRRMK 0.17
16 WLPRHPRRMK 0.17
17 WLPRKPRPMK 0.17
18 WLPRHPRPMK 0.17
19 WLRRKPRPMK 0.18
20 WLRRHPRPMK 0.18
21 WLPRRPRPLK 0.27
22 WLPRRPRRLK 0.27
23 WLRMRPRRMK 0.28
24 WLPMRPRPMK 0.28
25 WLRRRPRRLK 0.28
26 WLRRRPRPLK 0.28
27 WLPMRPRRMK 0.28
28 YLPRKPRRMK 0.29
29 WLRMRPRPMK 0.29
30 YLRRKPRPMK 0.3
31 YLPRHPRPMK 0.3
32 YLPRHPRRMK 0.3
33 YLRRHPRRMK 0.3
34 YLPRKPRPMK 0.3
35 WLRRRPRKMK 0.3
36 WLPRRPRKMK 0.3
37 YLRRKPRRMK 0.3
38 YLRRHPRPMK 0.3
39 MLPRKPRRMK 0.31
40 WLKRRPRRMK 0.31
41 MLPRHPRPMK 0.31
42 MLPRKPRPMK 0.31
43 WLKRRPRPMK 0.31
44 WLPRRHRPMK 0.31
45 MLPRHPRRMK 0.31
46 MLRRHPRRMK 0.31
47 WLPRRHRRMK 0.31
48 WLRRRHRRMK 0.31
49 MLRRKPRRMK 0.31
50 MLRRKPRPMK 0.32
51 WLRRRHRPMK 0.32
52 MLRRHPRPMK 0.32
53 YLPRRPRRLK 0.4
54 YLPRRPRPLK 0.4
55 YLPMRPRRMK 0.4
56 YLRRRPRPLK 0.4
57 YLRRRPRRLK 0.4
58 YLRMRPRPMK 0.41
59 YLRMRPRRMK 0.41
60 MLPRRPRRLK 0.41
61 MLPRRPRPLK 0.41
62 YLPMRPRPMK 0.41
63 MLRRRPRRLK 0.42
64 YLPRRPRKMK 0.42
65 MLRRRPRPLK 0.42
66 MLRMRPRRMK 0.42
67 MLPMRPRRMK 0.42
68 MLPMRPRPMK 0.42
69 YLKRRPRPMK 0.43
70 WLPIRPRRMK 0.43
71 YLPRRHRRMK 0.43
72 MLRMRPRPMK 0.43
73 YLKRRPRRMK 0.43
74 YLRRRPRKMK 0.43
75 WLRRKPRRLK 0.44
76 WLPRHPRRLK 0.44
77 WLPIRPRPMK 0.44
78 WLPRHPRPLK 0.44
79 YLRRRHRPMK 0.44
80 YLPRRHRPMK 0.44
81 YLRRRHRRMK 0.44
82 MLPRRPRKMK 0.44
83 WLPRKPRPLK 0.44
84 WLPRKPRRLK 0.44
85 WLRIRPRRMK 0.44
86 WLRIRPRPMK 0.44
87 MLRRRPRKMK 0.44
88 MLKRRPRRMK 0.45
89 WLPMKPRRMK 0.45
90 WLRRHPRPLK 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MLRRRPRRMK

4.54

-11.55

-7.01
2 MLPRRPRPMK

4.61

-11.13

-6.52
3 YLRRRPRRMK

5.2

-11.16

-5.96
4 WLRRRPRPLK

5.84

-11.79

-5.95
5 WLRRHPRRMK

5.18

-11.08

-5.9
6 YLPRKPRRMK

4.41

-10.25

-5.84
7 WLRMRPRPMK

5.48

-11.05

-5.57
8 WLRRKPRRMK

4.71

-10.27

-5.56
9 MLPRRPRRMK

4.67

-9.97

-5.3
10 WLPRRPRRMK

5.65

-10.8

-5.15
11 MLRRRPRPMK

5.78

-10.86

-5.08
12 WLRRKPRPMK

5.51

-10.43

-4.92
13 YLRRKPRPMK

5.09

-10.0

-4.91
14 WLRRRPRPMK

5.69

-10.12

-4.43
15 WLRRHPRPMK

9.97

-14.34

-4.37
16 WLRMRPRRMK

5.66

-9.95

-4.29
17 YLPRRPRRMK

5.85

-9.74

-3.89
18 WLPRRPRRLK

5.69

-9.46

-3.77
19 WLPRKPRRMK

5.78

-9.47

-3.69
20 WLPRHPRPMK

5.92

-9.57

-3.65
21 WLRRRPRRLK

5.55

-9.19

-3.64
22 WLPRHPRRMK

6.93

-10.54

-3.61
23 WLPMRPRRMK

5.32

-8.89

-3.57
24 YLRRRPRPMK

5.24

-8.51

-3.27
25 WLRRRPRRMK

5.88

-9.05

-3.17
26 YLPRRPRPMK

5.69

-8.74

-3.05
27 WLPMRPRPMK

5.99

-8.87

-2.88
28 WLPRRPRPLK

5.71

-8.19

-2.48
29 WLPRRPRPMK

5.92

-8.08

-2.16
30 WLPRKPRPMK

6.13

-6.78

-0.65

 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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