Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-16.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
G
 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 4.049 ΔGbinding -0.241
TOTAL
 3.808
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.573
Van der Waals -3.278 Backbone clash 0.185
Electrostatics 0.417 Helix dipole 0.000
Solvation Polar 3.755 Water bridges 0.021
Solvation Hyd -4.505 Disulfide 0.000
VdW clashes 0.862 Electrost. Kon 0.390
Entropy sc 0.510 Part.cov.bonds 0.000
Entropy mc

2.289

 ΔGstability

18.650
       

Predicted ligand sequences for model [BZZ1-D2_2A28-16.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_2A28-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIHPHRY 0.0
2 RPPIHPIRY 0.03
3 RKPIHPHRY 0.21
4 RPFIHPHRY 0.21
5 RKPIHPIRY 0.23
6 RPRIHPHRY 0.23
7 RPFIHPIRY 0.24
8 RPSIHPHRY 0.25
9 RPRIHPIRY 0.26
10 RPSIHPIRY 0.28
11 RPPIRPHRY 0.33
12 RPPIRPIRY 0.35
13 RPPIHPNRY 0.38
14 RPPIHPRRY 0.4
15 RRPIHPHRY 0.42
16 RKFIHPHRY 0.42
17 RRPIHPIRY 0.44
18 RKRIHPHRY 0.44
19 RKFIHPIRY 0.45
20 RKSIHPHRY 0.46
21 RKRIHPIRY 0.47
22 RKSIHPIRY 0.48
23 RPFIRPHRY 0.54
24 RKPIRPHRY 0.54
25 RPRIRPHRY 0.56
26 RKPIRPIRY 0.56
27 RPFIRPIRY 0.57
28 RKPIHPNRY 0.58
29 RPSIRPHRY 0.58
30 RPRIRPIRY 0.59
31 RPFIHPNRY 0.59
32 RPSIRPIRY 0.6
33 RKPIHPRRY 0.61
34 RPRIHPNRY 0.61
35 RPFIHPRRY 0.62
36 RPSIHPNRY 0.62
37 RRFIHPHRY 0.63
38 RPRIHPRRY 0.64
39 RRRIHPHRY 0.65
40 RPSIHPRRY 0.65
41 RRFIHPIRY 0.66
42 RRSIHPHRY 0.67
43 RRRIHPIRY 0.68
44 RRSIHPIRY 0.69
45 RPPIRPNRY 0.7
46 RPPIRPRRY 0.73
47 RRPIRPHRY 0.74
48 RKFIRPHRY 0.75
49 RRPIRPIRY 0.77
50 RKRIRPHRY 0.77
51 RKSIRPHRY 0.78
52 RKFIRPIRY 0.78
53 RRPIHPNRY 0.79
54 RKFIHPNRY 0.8
55 RKRIRPIRY 0.8
56 RKSIRPIRY 0.81
57 RRPIHPRRY 0.82
58 RKFIHPRRY 0.82
59 RKRIHPNRY 0.82
60 RKSIHPNRY 0.83
61 RKRIHPRRY 0.85
62 RKSIHPRRY 0.86
63 RKPIRPNRY 0.91
64 RPFIRPNRY 0.92
65 RPFIRPRRY 0.94
66 RPRIRPNRY 0.94
67 RKPIRPRRY 0.94
68 RPSIRPNRY 0.95
69 RPRIRPRRY 0.96
70 RRFIRPHRY 0.96
71 RRRIRPHRY 0.98
72 RRFIRPIRY 0.98
73 RPSIRPRRY 0.98
74 RRSIRPHRY 0.99
75 RRRIRPIRY 1.0
76 RRFIHPNRY 1.0
77 RRRIHPNRY 1.02
78 RRSIRPIRY 1.02
79 RRFIHPRRY 1.03
80 RRSIHPNRY 1.04
81 RRRIHPRRY 1.05
82 RRSIHPRRY 1.07
83 RRPIRPNRY 1.12
84 RKFIRPNRY 1.12
85 RRPIRPRRY 1.15
86 RKRIRPNRY 1.15
87 RKFIRPRRY 1.15
88 RKSIRPNRY 1.16
89 RKRIRPRRY 1.17
90 RKSIRPRRY 1.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFIRPHRY

7.34

-9.5

-2.16
2 RPPIHPHRY

7.42

-9.43

-2.01
3 RPRIHPIRY

7.43

-9.43

-2.0
4 RKPIRPHRY

7.42

-9.33

-1.91
5 RPFIHPIRY

7.65

-9.19

-1.54
6 RPFIHPHRY

7.49

-8.95

-1.46
7 RKFIHPHRY

7.9

-9.15

-1.25
8 RKSIHPIRY

7.67

-8.84

-1.17
9 RPSIHPIRY

7.46

-8.55

-1.09
10 RKSIHPHRY

7.45

-8.5

-1.05
11 RPPIHPRRY

8.42

-9.32

-0.9
12 RPRIHPHRY

7.41

-8.13

-0.72
13 RPRIRPHRY

7.81

-8.49

-0.68
14 RPPIRPIRY

7.24

-7.77

-0.53
15 RPPIHPIRY

7.77

-8.07

-0.3
16 RPFIRPIRY

7.84

-8.12

-0.28
17 RPSIHPHRY

7.24

-7.34

-0.1
18 RRPIHPIRY

7.74

-7.65

0.09
19 RKRIHPIRY

7.52

-7.33

0.19
20 RPPIHPNRY

7.35

-6.97

0.38
21 RKPIRPIRY

7.74

-7.18

0.56
22 RKPIHPHRY

7.39

-6.69

0.7
23 RKRIHPHRY

8.0

-7.05

0.95
24 RKPIHPIRY

8.26

-7.24

1.02
25 RKPIHPNRY

7.31

-6.04

1.27
26 RRPIHPHRY

7.4

-6.1

1.3
27 RKFIHPIRY

7.6

-6.28

1.32
28 RPPIRPHRY

10.57

-8.29

2.28
29 RPSIRPHRY

10.25

-6.61

3.64
30 RPRIRPIRY

10.63

-6.93

3.7

 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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