Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-15.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 0.417 ΔGbinding -1.744
TOTAL
 -1.327
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.248
Van der Waals -3.270 Backbone clash 0.166
Electrostatics 0.425 Helix dipole 0.000
Solvation Polar 3.627 Water bridges -0.136
Solvation Hyd -4.666 Disulfide 0.000
VdW clashes 0.040 Electrost. Kon 0.530
Entropy sc 0.694 Part.cov.bonds 0.000
Entropy mc

3.314

 ΔGstability

12.407
       

Predicted ligand sequences for model [LSB3_2A08-15.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).
 
  LSB3_2A08-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRMHRKRR 0.0
2 RWRMHRLRR 0.03
3 RWRMHRRRR 0.04
4 RWFMHRKRR 0.08
5 RWWMHRKRR 0.09
6 RWRMHRVRR 0.1
7 RWFMHRLRR 0.11
8 RWWMHRLRR 0.12
9 RWFMHRRRR 0.12
10 RWWMHRRRR 0.13
11 RWYMHRKRR 0.16
12 RWRIHRKRR 0.16
13 RWFMHRVRR 0.17
14 RWWMHRVRR 0.18
15 RWYMHRLRR 0.19
16 RWRIHRLRR 0.19
17 RWRIHRRRR 0.2
18 RWYMHRRRR 0.21
19 RWFIHRKRR 0.23
20 RWWIHRKRR 0.24
21 RWRIHRVRR 0.25
22 RWYMHRVRR 0.26
23 RWWIHRLRR 0.27
24 RWFIHRLRR 0.27
25 RWFIHRRRR 0.28
26 RPRMHRKRR 0.29
27 RWWIHRRRR 0.29
28 RWRWHRKRR 0.3
29 RPRMHRLRR 0.32
30 RWYIHRKRR 0.32
31 RWRWHRLRR 0.33
32 RWFIHRVRR 0.33
33 RWRWHRRRR 0.34
34 RWWIHRVRR 0.34
35 RPRMHRRRR 0.34
36 RWYIHRLRR 0.35
37 RWYIHRRRR 0.36
38 RWRKHRKRR 0.36
39 RPFMHRKRR 0.37
40 RWFWHRKRR 0.38
41 RPWMHRKRR 0.38
42 RWWWHRKRR 0.39
43 RWRKHRLRR 0.39
44 RWRWHRVRR 0.39
45 RPRMHRVRR 0.39
46 RWRKHRRRR 0.4
47 RPFMHRLRR 0.4
48 RWFWHRLRR 0.41
49 RPWMHRLRR 0.41
50 RWYIHRVRR 0.41
51 RWWWHRLRR 0.42
52 RPFMHRRRR 0.42
53 RWFWHRRRR 0.42
54 RPWMHRRRR 0.42
55 RWWWHRRRR 0.43
56 RWFKHRKRR 0.44
57 RPRIHRKRR 0.45
58 RPYMHRKRR 0.45
59 RWWKHRKRR 0.45
60 RWRKHRVRR 0.46
61 RWYWHRKRR 0.46
62 RPFMHRVRR 0.47
63 RWFWHRVRR 0.47
64 RWFKHRLRR 0.47
65 RWWWHRVRR 0.48
66 RPRIHRLRR 0.48
67 RWFKHRRRR 0.48
68 RPWMHRVRR 0.48
69 RWWKHRLRR 0.48
70 RWYWHRLRR 0.49
71 RPYMHRLRR 0.49
72 RPRIHRRRR 0.49
73 RWWKHRRRR 0.49
74 RWYWHRRRR 0.5
75 RPYMHRRRR 0.5
76 RWYKHRKRR 0.52
77 RWFKHRVRR 0.53
78 RPFIHRKRR 0.53
79 RPWIHRKRR 0.54
80 RWWKHRVRR 0.54
81 RWYWHRVRR 0.55
82 RWYKHRLRR 0.55
83 RPYMHRVRR 0.55
84 RPRIHRVRR 0.55
85 RPFIHRLRR 0.56
86 RPFIHRRRR 0.57
87 RPWIHRLRR 0.57
88 RWYKHRRRR 0.57
89 RPWIHRRRR 0.58
90 RPRWHRKRR 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWWMHRRRR

1.65

-14.0

-12.35
2 RWWMHRVRR

1.79

-14.13

-12.34
3 RWYMHRLRR

1.65

-13.99

-12.34
4 RWFMHRVRR

1.61

-13.93

-12.32
5 RWRMHRRRR

1.6

-13.66

-12.06
6 RWFMHRKRR

1.54

-13.58

-12.04
7 RWYMHRRRR

1.69

-13.56

-11.87
8 RWWMHRKRR

1.73

-13.54

-11.81
9 RWWMHRLRR

1.91

-13.67

-11.76
10 RPRMHRKRR

1.54

-13.23

-11.69
11 RWRMHRVRR

1.47

-13.15

-11.68
12 RWFIHRKRR

1.56

-13.08

-11.52
13 RWWIHRRRR

2.24

-13.69

-11.45
14 RWRMHRLRR

1.63

-13.0

-11.37
15 RWRIHRRRR

1.71

-12.91

-11.2
16 RWYMHRVRR

1.62

-12.81

-11.19
17 RWWIHRKRR

1.59

-12.69

-11.1
18 RWRMHRKRR

1.71

-12.67

-10.96
19 RPRMHRLRR

1.36

-12.31

-10.95
20 RWFMHRLRR

1.79

-12.7

-10.91
21 RWWIHRLRR

1.52

-12.35

-10.83
22 RWYMHRKRR

1.92

-12.67

-10.75
23 RWRIHRKRR

2.09

-12.37

-10.28
24 RWRIHRVRR

1.79

-11.91

-10.12
25 RWYIHRKRR

1.94

-12.02

-10.08
26 RWFIHRLRR

1.58

-11.55

-9.97
27 RWRIHRLRR

1.61

-11.49

-9.88
28 RWFIHRRRR

2.25

-11.82

-9.57
29 RWFMHRRRR

2.45

-11.96

-9.51
30 RWRWHRKRR

2.31

-10.85

-8.54

 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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