Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-15.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
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 2.058 ΔGbinding 3.082
TOTAL
 5.140
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.385
Van der Waals -3.544 Backbone clash 0.086
Electrostatics 0.242 Helix dipole 0.000
Solvation Polar 3.984 Water bridges 0.015
Solvation Hyd -5.082 Disulfide 0.000
VdW clashes 3.567 Electrost. Kon 0.321
Entropy sc 0.931 Part.cov.bonds 0.000
Entropy mc

3.538

 ΔGstability

21.532
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGRRRKKRR 0.0
2 RGRRRRKRR 0.0
3 RGWRRRKRR 0.0
4 RGWRRKKRR 0.0
5 RGRWRKKRR 0.03
6 RGWWRRKRR 0.03
7 RGWWRKKRR 0.03
8 RGFRRRKRR 0.03
9 RGRWRRKRR 0.03
10 RGFRRKKRR 0.04
11 RGFWRRKRR 0.06
12 RGFWRKKRR 0.07
13 RGRRRKKKR 0.08
14 RGRRRRKKR 0.08
15 RGWRRRRRR 0.08
16 RGRRRRRRR 0.08
17 RGWRRRKKR 0.08
18 RGRRRKRRR 0.08
19 RGWRRKKKR 0.08
20 RGWRRKRRR 0.08
21 KGWRRKKRR 0.09
22 KGWRRRKRR 0.09
23 KGRRRRKRR 0.09
24 KGRRRKKRR 0.09
25 RGWWRRRRR 0.1
26 RGRWRRKKR 0.1
27 RGWWRRKKR 0.1
28 RGRWRRRRR 0.1
29 KGWWRRKRR 0.11
30 RGFRRKRRR 0.11
31 RGWWRKRRR 0.11
32 RGRWRKRRR 0.11
33 RGFRRRRRR 0.11
34 RGRWRKKKR 0.11
35 RGFRRRKKR 0.11
36 RGFRRKKKR 0.11
37 KGRWRRKRR 0.11
38 RGWWRKKKR 0.11
39 KGFRRRKRR 0.12
40 KGRWRKKRR 0.12
41 KGWWRKKRR 0.12
42 KGFRRKKRR 0.12
43 RGFWRKRRR 0.14
44 RGWRVKKRR 0.14
45 RGFWRRRRR 0.14
46 RGWRVRKRR 0.14
47 RGFWRRKKR 0.14
48 RGRRVKKRR 0.14
49 RGFWRKKKR 0.14
50 RGRRVRKRR 0.14
51 RGRRRKRKR 0.15
52 RGWRRRRKR 0.15
53 KGFWRRKRR 0.15
54 RGRRRRRKR 0.15
55 KGFWRKKRR 0.15
56 KGRRRRRRR 0.16
57 KGRRRKRRR 0.16
58 KGWRRRRRR 0.16
59 RGWRRKRKR 0.16
60 KGWRRRKKR 0.16
61 KGRRRKKKR 0.16
62 KGRRRRKKR 0.16
63 RGRIRRKRR 0.17
64 KGWRRKRRR 0.17
65 RGWIRKKRR 0.17
66 RGWIRRKRR 0.17
67 RGRWVKKRR 0.17
68 RGWWVRKRR 0.17
69 RGFRVRKRR 0.17
70 RGRWVRKRR 0.17
71 RGRIRKKRR 0.17
72 KGWRRKKKR 0.17
73 RGWWVKKRR 0.17
74 RGWWRRRKR 0.18
75 RGRWRRRKR 0.18
76 RGRWRKRKR 0.18
77 RGFRVKKRR 0.18
78 RGWWRKRKR 0.18
79 KGWWRKKKR 0.19
80 KGRWRRKKR 0.19
81 KGRWRKRRR 0.19
82 KGRWRRRRR 0.19
83 RGFRRRRKR 0.19
84 RGFRRKRKR 0.19
85 KGWWRRRRR 0.19
86 KGWWRKRRR 0.19
87 KGRWRKKKR 0.19
88 KGWWRRKKR 0.19
89 KGFRRKKKR 0.2
90 RGFIRRKRR 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGFRRRKRR

3.08

-11.25

-8.17
2 RGWRRRKRR

3.43

-11.44

-8.01
3 RGRRRKRRR

3.44

-10.1

-6.66
4 RGRRRRRRR

4.15

-10.63

-6.48
5 RGRRRRKKR

3.4

-9.75

-6.35
6 KGRRRKKRR

2.47

-8.76

-6.29
7 RGFRRKRRR

3.45

-9.71

-6.26
8 RGWRRKRRR

3.43

-9.68

-6.25
9 KGRRRRKRR

2.57

-8.53

-5.96
10 RGWRRRRRR

3.73

-9.69

-5.96
11 RGFWRRKRR

3.29

-8.85

-5.56
12 KGWRRKKRR

2.0

-7.32

-5.32
13 RGWWRRRRR

2.0

-7.26

-5.26
14 RGWRRKKRR

3.47

-8.72

-5.25
15 RGFRRKKRR

3.86

-8.94

-5.08
16 RGRRRKKRR

3.4

-8.4

-5.0
17 RGWRRRKKR

3.75

-8.73

-4.98
18 RGRWRRKRR

3.8

-8.6

-4.8
19 RGWWRRKRR

4.06

-8.64

-4.58
20 KGWWRRKRR

2.43

-6.85

-4.42
21 RGRRRRKRR

3.53

-7.66

-4.13
22 KGWRRRKRR

3.86

-7.93

-4.07
23 RGRRRKKKR

3.18

-7.18

-4.0
24 RGRWRRKKR

3.39

-7.24

-3.85
25 RGFWRKKRR

3.74

-7.59

-3.85
26 RGWWRRKKR

3.38

-7.17

-3.79
27 RGRWRRRRR

3.25

-6.46

-3.21
28 RGWRRKKKR

3.43

-6.6

-3.17
29 RGRWRKKRR

2.73

-4.65

-1.92
30 RGWWRKKRR

3.93

-5.08

-1.15

 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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