Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.823 ΔGbinding 1.967
TOTAL
 3.790
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.689
Van der Waals -3.202 Backbone clash 0.026
Electrostatics 0.167 Helix dipole 0.000
Solvation Polar 3.417 Water bridges 0.000
Solvation Hyd -4.676 Disulfide 0.000
VdW clashes 2.981 Electrost. Kon 0.217
Entropy sc 0.243 Part.cov.bonds 0.000
Entropy mc

2.131

 ΔGstability

18.059
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-13.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-D3_1Z9Z-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPRHPRR 0.0
2 RKKRHPRR 0.01
3 RKRRHPRR 0.02
4 RKPLHPRR 0.04
5 RKKLHPRR 0.05
6 RKRLHPRR 0.06
7 HKPRHPRR 0.09
8 RKPRHYRR 0.1
9 HKKRHPRR 0.1
10 RKPRHFRR 0.1
11 RKPRGPRR 0.1
12 RKKRGPRR 0.11
13 RKKRHFRR 0.11
14 HKRRHPRR 0.11
15 RKKRHYRR 0.11
16 HKPLHPRR 0.12
17 RKRRGPRR 0.12
18 RKRRHFRR 0.12
19 RKPLGPRR 0.13
20 HKKLHPRR 0.13
21 RKRRHYRR 0.13
22 RKPLHYRR 0.14
23 RKKLGPRR 0.14
24 RKPLHFRR 0.14
25 RKKLHFRR 0.15
26 HKRLHPRR 0.15
27 RKKLHYRR 0.15
28 RKRLHFRR 0.16
29 RKRLGPRR 0.16
30 RKRLHYRR 0.16
31 RIPRHPRR 0.16
32 RIKRHPRR 0.17
33 HKPRGPRR 0.18
34 HKPRHYRR 0.19
35 HKPRHFRR 0.19
36 RIRRHPRR 0.19
37 RIPLHPRR 0.2
38 HKKRGPRR 0.2
39 RKPRGYRR 0.2
40 HKKRHYRR 0.2
41 HKKRHFRR 0.2
42 RKPMHPRR 0.2
43 RKPRGFRR 0.2
44 RIKLHPRR 0.21
45 HKRRHYRR 0.21
46 HKRRHFRR 0.21
47 RKKRGYRR 0.21
48 HKRRGPRR 0.21
49 RKKRGFRR 0.21
50 HKPLHFRR 0.22
51 RKRRGYRR 0.22
52 HKPLGPRR 0.22
53 RKRRGFRR 0.22
54 RKKMHPRR 0.22
55 RIRLHPRR 0.22
56 HKPLHYRR 0.23
57 RKRMHPRR 0.23
58 HKKLGPRR 0.23
59 RKPLGYRR 0.23
60 RKPLGFRR 0.23
61 HKKLHYRR 0.24
62 HKRLGPRR 0.24
63 HKKLHFRR 0.24
64 RKKLGFRR 0.25
65 RKKLGYRR 0.25
66 HIPRHPRR 0.25
67 HKRLHFRR 0.25
68 HKRLHYRR 0.25
69 RKRLGYRR 0.26
70 RIPRGPRR 0.26
71 RKRLGFRR 0.26
72 RKPRFPRR 0.26
73 RIPRHFRR 0.26
74 HIKRHPRR 0.26
75 HIRRHPRR 0.27
76 RKKRFPRR 0.27
77 RIKRGPRR 0.27
78 RIPRHYRR 0.27
79 RIKRHFRR 0.28
80 RMPRHPRR 0.28
81 HIPLHPRR 0.28
82 RKRRFPRR 0.28
83 HKPRGFRR 0.28
84 RIRRGPRR 0.28
85 RIKRHYRR 0.28
86 RMKRHPRR 0.29
87 RKPLFPRR 0.29
88 RIPLGPRR 0.29
89 HKPMHPRR 0.29
90 HKPRGYRR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKPRGPRR

3.47

-8.64

-5.17
2 RKRRGPRR

3.56

-8.03

-4.47
3 RKRLGPRR

2.45

-6.8

-4.35
4 RKKRGPRR

3.8

-7.65

-3.85
5 RKKLGPRR

3.36

-6.99

-3.63
6 RKPLGPRR

3.19

-6.78

-3.59
7 HKPRHPRR

1.97

-5.47

-3.5
8 RKRRHFRR

3.67

-6.52

-2.85
9 RKKRHYRR

3.73

-6.54

-2.81
10 HKRRHPRR

3.59

-6.34

-2.75
11 RKPRHYRR

2.54

-5.29

-2.75
12 RKRRHYRR

2.3

-4.92

-2.62
13 HKKLHPRR

2.25

-4.62

-2.37
14 RKPLHPRR

3.31

-5.44

-2.13
15 HKKRHPRR

3.54

-5.65

-2.11
16 RKKRHFRR

3.46

-5.41

-1.95
17 RKPRHPRR

3.64

-5.59

-1.95
18 RKPLHFRR

3.08

-4.93

-1.85
19 HKRLHPRR

3.11

-4.9

-1.79
20 RKKRHPRR

3.67

-5.44

-1.77
21 RKKLHPRR

3.48

-5.24

-1.76
22 HKPLHPRR

3.41

-5.04

-1.63
23 RKRLHFRR

3.68

-5.29

-1.61
24 RKPRHFRR

3.26

-4.85

-1.59
25 RKRLHYRR

3.51

-4.87

-1.36
26 RKKLHYRR

3.69

-3.55

0.14
27 RKKLHFRR

3.64

-3.5

0.14
28 RKRRHPRR

4.3

-4.11

0.19
29 RKRLHPRR

3.87

-3.63

0.24
30 RKPLHYRR

3.59

-3.11

0.48

 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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