Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-9.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 1.577 ΔGbinding -1.504
TOTAL
 0.073
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.362
Van der Waals -3.392 Backbone clash 0.406
Electrostatics 0.175 Helix dipole 0.000
Solvation Polar 3.665 Water bridges 0.090
Solvation Hyd -4.424 Disulfide 0.000
VdW clashes 0.950 Electrost. Kon 0.176
Entropy sc 0.519 Part.cov.bonds 0.000
Entropy mc

2.926

 ΔGstability

15.383
       

Predicted ligand sequences for model [BZZ1-D2_2A28-9.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).
 
  BZZ1-D2_2A28-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPIRPRF 0.0
2 RKWIRPRF 0.02
3 RKPIRPRW 0.02
4 RKWIRPRW 0.04
5 RKFIRPRF 0.07
6 RKPIRFRF 0.09
7 RKFIRPRW 0.1
8 RKPIRFRW 0.11
9 RKWIRFRF 0.11
10 RKPIRLRF 0.11
11 RKWIRLRF 0.13
12 RKWIRFRW 0.13
13 RKPIRLRW 0.14
14 RKWIRLRW 0.15
15 RKPIRPRY 0.16
16 RKFIRFRF 0.16
17 RKFIRLRF 0.18
18 RKWIRPRY 0.18
19 RKFIRFRW 0.19
20 RKFIRLRW 0.21
21 RKFIRPRY 0.24
22 RKPIRFRY 0.25
23 RKWIRFRY 0.27
24 RKPIRLRY 0.28
25 RKWIRLRY 0.29
26 RKFIRFRY 0.33
27 RKFIRLRY 0.35
28 RKPMRPRF 0.36
29 RKWMRPRF 0.38
30 RKPMRPRW 0.39
31 RKWMRPRW 0.4
32 RPPIRPRF 0.41
33 RPWIRPRF 0.42
34 RPPIRPRW 0.43
35 RKFMRPRF 0.43
36 RPWIRPRW 0.45
37 RKPMRFRF 0.45
38 RKPRRPRF 0.45
39 RKFMRPRW 0.46
40 RKWMRFRF 0.47
41 RKPRRPRW 0.47
42 RKWRRPRF 0.47
43 RKPMRFRW 0.48
44 RPFIRPRF 0.48
45 RKPMRLRF 0.48
46 RKWMRFRW 0.49
47 RKWMRLRF 0.49
48 RKWRRPRW 0.49
49 RPPIRFRF 0.5
50 RPFIRPRW 0.5
51 RKPMRLRW 0.5
52 RPWIRFRF 0.51
53 RPPIRFRW 0.52
54 RKFRRPRF 0.52
55 RPPIRLRF 0.52
56 RKWMRLRW 0.52
57 RKPMRPRY 0.53
58 RKFMRFRF 0.53
59 RPWIRLRF 0.54
60 RKWMRPRY 0.54
61 RPWIRFRW 0.54
62 RKPRRFRF 0.54
63 RKFMRLRF 0.55
64 RKFRRPRW 0.55
65 RPPIRLRW 0.55
66 RKFMRFRW 0.55
67 RPWIRLRW 0.56
68 RKWRRFRF 0.56
69 RKPRRLRF 0.56
70 RKPRRFRW 0.56
71 RPFIRFRF 0.57
72 RKFMRLRW 0.57
73 RPPIRPRY 0.57
74 RKWRRLRF 0.58
75 RKWRRFRW 0.58
76 RPWIRPRY 0.59
77 RKPRRLRW 0.59
78 RPFIRFRW 0.59
79 RPFIRLRF 0.59
80 RKWRRLRW 0.6
81 RKFMRPRY 0.6
82 RKFRRFRF 0.61
83 RKPRRPRY 0.61
84 RPFIRLRW 0.62
85 RKPMRFRY 0.62
86 RKWMRFRY 0.63
87 RKWRRPRY 0.63
88 RKFRRLRF 0.64
89 RPFIRPRY 0.64
90 RKFRRFRW 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKPIRPRF

2.1

-12.27

-10.17
2 RKFIRFRW

1.92

-11.7

-9.78
3 RKPIRPRW

2.16

-11.77

-9.61
4 RKPIRLRY

2.55

-12.01

-9.46
5 RKPIRPRY

2.75

-12.01

-9.26
6 RKPIRFRY

2.66

-11.85

-9.19
7 RKWIRLRF

2.77

-11.87

-9.1
8 RKWIRPRF

2.9

-11.99

-9.09
9 RKFIRLRY

2.83

-11.91

-9.08
10 RKPIRLRF

2.62

-11.66

-9.04
11 RKPIRFRW

1.97

-10.95

-8.98
12 RKPIRFRF

2.59

-11.44

-8.85
13 RKFIRLRW

2.66

-11.46

-8.8
14 RKFIRPRY

2.8

-11.55

-8.75
15 RKWIRFRW

2.66

-11.4

-8.74
16 RKFIRFRF

2.69

-11.4

-8.71
17 RKFIRPRW

2.71

-11.35

-8.64
18 RKFIRLRF

2.69

-11.24

-8.55
19 RKWIRFRY

2.79

-11.34

-8.55
20 RKFIRFRY

2.74

-11.28

-8.54
21 RKPMRPRF

2.78

-11.3

-8.52
22 RKPMRPRW

2.9

-11.39

-8.49
23 RKFIRPRF

2.8

-11.03

-8.23
24 RKWIRLRW

2.83

-11.04

-8.21
25 RKPIRLRW

2.37

-10.35

-7.98
26 RKWIRLRY

2.58

-10.21

-7.63
27 RKWIRPRY

3.04

-10.6

-7.56
28 RKWIRPRW

2.83

-10.35

-7.52
29 RKWMRPRF

2.68

-10.01

-7.33
30 RKWIRFRF

2.59

-9.21

-6.62

 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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