Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-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 3.820 ΔGbinding -1.139
TOTAL
 2.681
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.486
Van der Waals -3.938 Backbone clash 0.249
Electrostatics 0.105 Helix dipole 0.000
Solvation Polar 4.375 Water bridges 0.000
Solvation Hyd -5.534 Disulfide 0.000
VdW clashes 0.065 Electrost. Kon 0.043
Entropy sc 0.425 Part.cov.bonds 0.000
Entropy mc

4.109

 ΔGstability

28.693
       

Predicted ligand sequences for model [LSB1_1CKA-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).
 
  LSB1_1CKA-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRIIKKKV 0.0
2 RRRMIKKKV 0.02
3 RRFIIKKKV 0.04
4 RRWIIKKKV 0.04
5 RRRIIKRKV 0.05
6 RRWMIKKKV 0.06
7 RRFMIKKKV 0.06
8 RRRMIKRKV 0.07
9 YRRIIKKKV 0.08
10 RRRIIKLKV 0.08
11 RRWIIKRKV 0.09
12 RRFIIKRKV 0.09
13 RRWMIKRKV 0.1
14 YRRMIKKKV 0.1
15 RRRMIKLKV 0.1
16 RRFMIKRKV 0.11
17 RRWIIKLKV 0.12
18 YRWIIKKKV 0.12
19 YRFIIKKKV 0.13
20 RRFIIKLKV 0.13
21 YRRIIKRKV 0.13
22 YRFMIKKKV 0.14
23 YRWMIKKKV 0.14
24 RRWMIKLKV 0.14
25 YRRMIKRKV 0.15
26 RRFMIKLKV 0.15
27 YRRIIKLKV 0.16
28 YRFIIKRKV 0.17
29 YRWIIKRKV 0.17
30 YRWMIKRKV 0.18
31 YRRMIKLKV 0.18
32 YRFMIKRKV 0.19
33 YRWIIKLKV 0.2
34 YRFIIKLKV 0.21
35 YRWMIKLKV 0.22
36 RRRIIKKMV 0.22
37 YRFMIKLKV 0.23
38 RRRMIKKMV 0.24
39 RRWIIKKMV 0.26
40 RPRIIKKKV 0.27
41 RRRIIKRMV 0.27
42 RRRIKKKKV 0.27
43 RRFIIKKMV 0.27
44 RRRMKKKKV 0.28
45 RRWMIKKMV 0.28
46 RRRMIKRMV 0.29
47 RRFMIKKMV 0.29
48 RPRMIKKKV 0.29
49 RRWIKKKKV 0.3
50 YRRIIKKMV 0.3
51 RRRIKKRKV 0.31
52 RRRIIKLMV 0.31
53 RRFIKKKKV 0.31
54 RRWIIKRMV 0.31
55 RPWIIKKKV 0.31
56 RRRMIKLMV 0.32
57 RPFIIKKKV 0.32
58 RRWMKKKKV 0.32
59 RRFIIKRMV 0.32
60 YRRMIKKMV 0.32
61 RRRIIKKIV 0.32
62 RPRIIKRKV 0.32
63 RRRMKKRKV 0.33
64 RPWMIKKKV 0.33
65 RPFMIKKKV 0.33
66 RRFMKKKKV 0.33
67 RRWMIKRMV 0.33
68 YRWIIKKMV 0.34
69 RPRMIKRKV 0.34
70 RRWIIKLMV 0.34
71 RRRMIKKIV 0.34
72 RRFMIKRMV 0.34
73 YRFIIKKMV 0.35
74 RRRIKKLKV 0.35
75 YRRIKKKKV 0.35
76 RRWIKKRKV 0.35
77 YRRIIKRMV 0.35
78 RRRIFKKKV 0.35
79 RRFIIKLMV 0.35
80 YPRIIKKKV 0.35
81 RRWMIKLMV 0.36
82 YRRMKKKKV 0.36
83 RRWIIKKIV 0.36
84 RPRIIKLKV 0.36
85 YRWMIKKMV 0.36
86 RRFIKKRKV 0.36
87 RPWIIKRKV 0.36
88 RRRMKKLKV 0.37
89 RRRMFKKKV 0.37
90 RRFMIKLMV 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWIIKRKV

4.51

-6.73

-2.22
2 RRFIIKRKV

4.9

-6.5

-1.6
3 RRRIIKKKV

5.1

-6.35

-1.25
4 RRFIIKLKV

5.6

-6.77

-1.17
5 YRFIIKRKV

4.51

-5.6

-1.09
6 RRRIIKRKV

4.48

-5.43

-0.95
7 YRFIIKKKV

4.43

-5.31

-0.88
8 YRWIIKRKV

4.71

-5.27

-0.56
9 RRRMIKRKV

7.76

-8.21

-0.45
10 YRWIIKKKV

4.83

-5.13

-0.3
11 RRRMIKLKV

7.68

-7.91

-0.23
12 RRRIIKLKV

6.36

-6.54

-0.18
13 YRRIIKKKV

5.53

-5.5

0.03
14 RRFIIKKKV

4.67

-4.62

0.05
15 YRRMIKKKV

7.01

-6.76

0.25
16 YRRIIKRKV

6.04

-5.73

0.31
17 RRFMIKKKV

7.85

-7.43

0.42
18 YRWMIKKKV

6.97

-6.46

0.51
19 RRRMIKKKV

8.4

-7.86

0.54
20 YRRIIKLKV

5.75

-5.12

0.63
21 YRRMIKRKV

7.77

-6.51

1.26
22 YRFMIKKKV

7.31

-5.99

1.32
23 RRWIIKLKV

9.08

-7.66

1.42
24 RRFMIKRKV

8.66

-7.04

1.62
25 RRWIIKKKV

8.28

-6.19

2.09
26 RRWMIKKKV

9.04

-6.86

2.18
27 YRWMIKRKV

8.21

-5.97

2.24
28 RRWMIKLKV

7.95

-5.25

2.7
29 RRFMIKLKV

9.72

-6.81

2.91
30 RRWMIKRKV

8.94

-5.66

3.28

 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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