Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-12.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 0.196 ΔGbinding -1.442
TOTAL
 -1.246
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.277
Van der Waals -1.699 Backbone clash 0.032
Electrostatics 0.107 Helix dipole 0.000
Solvation Polar 1.885 Water bridges 0.004
Solvation Hyd -2.479 Disulfide 0.000
VdW clashes 0.442 Electrost. Kon 0.104
Entropy sc 0.350 Part.cov.bonds 0.000
Entropy mc

0.843

 ΔGstability

9.980
       

Predicted ligand sequences for model [LSB3_2A08-12.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).
 
  LSB3_2A08-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFRRRRK 0.0
2 RRFRRRRR 0.06
3 RRFRHRRK 0.1
4 RRFRKRRK 0.1
5 RRFRPRRK 0.11
6 RRFRRRWK 0.14
7 RRFRHRRR 0.16
8 RRFRKRRR 0.16
9 RRFRPRRR 0.17
10 RRFRRRWR 0.2
11 RRFRHRWK 0.24
12 RRFRKRWK 0.24
13 RRFRPRWK 0.25
14 RRFRHRWR 0.3
15 RRFRKRWR 0.3
16 RRFRPRWR 0.31
17 RKFRRRRK 0.37
18 RKFRRRRR 0.43
19 RRYRRRRK 0.44
20 RRFRRRRH 0.46
21 RRFRRRRP 0.47
22 RKFRHRRK 0.47
23 RKFRKRRK 0.47
24 RKFRPRRK 0.48
25 RRYRRRRR 0.5
26 RKFRRRWK 0.51
27 RKFRHRRR 0.53
28 RKFRKRRR 0.53
29 RRYRHRRK 0.54
30 RKFRPRRR 0.54
31 RRYRKRRK 0.54
32 RRYRPRRK 0.55
33 RRFRHRRH 0.56
34 RRFRKRRH 0.56
35 RRFRHRRP 0.57
36 RRFRPRRH 0.57
37 RRFRKRRP 0.57
38 RKFRRRWR 0.57
39 RRFRPRRP 0.58
40 RRYRRRWK 0.58
41 RRYRHRRR 0.6
42 RRFRRRWH 0.6
43 RRYRKRRR 0.6
44 RKFRKRWK 0.61
45 RKFRHRWK 0.61
46 RRFRRRWP 0.61
47 RRYRPRRR 0.61
48 RKFRPRWK 0.62
49 RRYRRRWR 0.64
50 RKFRKRWR 0.67
51 RKFRHRWR 0.67
52 RKFRPRWR 0.68
53 RRYRKRWK 0.68
54 RRYRHRWK 0.69
55 RRFRHRWH 0.7
56 RRFRKRWH 0.7
57 RRYRPRWK 0.7
58 RRFRHRWP 0.71
59 RRFRKRWP 0.71
60 RRFRPRWH 0.71
61 RRFRPRWP 0.72
62 RRYRKRWR 0.74
63 RRYRHRWR 0.75
64 RRYRPRWR 0.76
65 RKYRRRRK 0.81
66 RKFRRRRH 0.83
67 RKFRRRRP 0.84
68 RKYRRRRR 0.87
69 RRYRRRRH 0.9
70 RKYRKRRK 0.91
71 RRYRRRRP 0.91
72 RKYRHRRK 0.91
73 RKYRPRRK 0.92
74 RKFRHRRH 0.93
75 RKFRKRRH 0.93
76 RKFRHRRP 0.94
77 RKFRPRRH 0.94
78 RKFRKRRP 0.94
79 RKYRRRWK 0.95
80 RKFRPRRP 0.95
81 RKYRKRRR 0.97
82 RKFRRRWH 0.97
83 RKYRHRRR 0.97
84 RKFRRRWP 0.98
85 RKYRPRRR 0.98
86 RRYRHRRH 1.0
87 RRYRKRRH 1.0
88 RRYRHRRP 1.01
89 RKYRRRWR 1.01
90 RRYRKRRP 1.01
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFRRRRH

1.85

-10.64

-8.79
2 RKFRKRRK

2.02

-10.38

-8.36
3 RRFRRRRK

2.58

-10.93

-8.35
4 RRFRHRRR

2.34

-10.59

-8.25
5 RRFRPRWR

2.14

-10.16

-8.02
6 RRFRPRRK

2.34

-10.25

-7.91
7 RRFRHRWR

1.92

-9.8

-7.88
8 RRFRRRRP

2.17

-10.04

-7.87
9 RRYRRRRK

2.22

-9.98

-7.76
10 RRYRRRRR

2.3

-9.95

-7.65
11 RRFRRRWK

2.74

-10.32

-7.58
12 RKFRRRRK

2.14

-9.58

-7.44
13 RRFRRRRR

2.53

-9.76

-7.23
14 RRFRRRWR

2.2

-9.41

-7.21
15 RKFRHRRK

2.32

-9.52

-7.2
16 RKFRRRRR

2.42

-9.6

-7.18
17 RRFRHRRK

2.66

-9.83

-7.17
18 RRFRPRRR

2.12

-9.24

-7.12
19 RRYRHRRK

2.79

-9.7

-6.91
20 RRFRPRWK

1.85

-8.72

-6.87
21 RRFRKRRR

2.56

-9.32

-6.76
22 RRFRKRRK

2.53

-9.18

-6.65
23 RRFRKRWK

2.3

-8.89

-6.59
24 RRFRKRWR

2.58

-9.13

-6.55
25 RRFRHRWK

2.07

-8.62

-6.55
26 RKFRPRRR

2.17

-8.47

-6.3
27 RKFRHRRR

2.34

-8.62

-6.28
28 RKFRRRWK

2.39

-8.56

-6.17
29 RKFRKRRR

2.27

-8.33

-6.06
30 RKFRPRRK

2.28

-7.95

-5.67

 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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