Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-13.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 7.082 ΔGbinding 4.938
TOTAL
 12.020
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.593
Van der Waals -3.713 Backbone clash 2.850
Electrostatics 0.373 Helix dipole 0.000
Solvation Polar 4.125 Water bridges 0.008
Solvation Hyd -4.752 Disulfide 0.000
VdW clashes 6.765 Electrost. Kon 0.461
Entropy sc 0.636 Part.cov.bonds 0.000
Entropy mc

1.717

 ΔGstability

31.111
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-13.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-D1_1ZUU-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPRGWRF 0.0
2 RPRRGWRF 0.02
3 WPPRGWRF 0.06
4 RPKRGWRF 0.07
5 WPRRGWRF 0.08
6 RPPRGWRW 0.09
7 RPRRGWRW 0.11
8 WPKRGWRF 0.12
9 WPPRGWRW 0.15
10 RPKRGWRW 0.15
11 WPRRGWRW 0.17
12 MPPRGWRF 0.21
13 WPKRGWRW 0.21
14 MPRRGWRF 0.23
15 RPPRGMRF 0.25
16 RPRRGMRF 0.27
17 MPKRGWRF 0.28
18 MPPRGWRW 0.3
19 RPKRGMRF 0.31
20 WPPRGMRF 0.31
21 MPRRGWRW 0.32
22 WPRRGMRF 0.33
23 RPPRGFRF 0.34
24 RPPRGMRW 0.34
25 RPRRGMRW 0.36
26 RPRRGFRF 0.36
27 WPKRGMRF 0.37
28 MPKRGWRW 0.37
29 RPPRGWRY 0.39
30 RPKRGMRW 0.4
31 RPKRGFRF 0.4
32 WPPRGMRW 0.4
33 WPPRGFRF 0.4
34 RPRRGWRY 0.42
35 WPRRGFRF 0.42
36 WPRRGMRW 0.42
37 RPPRGFRW 0.43
38 WPPRGWRY 0.45
39 RPRRGFRW 0.45
40 WPKRGFRF 0.46
41 RPKRGWRY 0.46
42 MPPRGMRF 0.46
43 WPKRGMRW 0.46
44 RPPIGWRF 0.46
45 RFPRGWRF 0.47
46 WPRRGWRY 0.48
47 MPRRGMRF 0.48
48 RPRIGWRF 0.48
49 RPKRGFRW 0.49
50 RFRRGWRF 0.49
51 WPPRGFRW 0.49
52 WPRRGFRW 0.51
53 RPKIGWRF 0.52
54 WPPIGWRF 0.52
55 WPKRGWRY 0.52
56 MPKRGMRF 0.53
57 RFKRGWRF 0.53
58 WFPRGWRF 0.53
59 WPRIGWRF 0.54
60 WPKRGFRW 0.55
61 MPPRGMRW 0.55
62 WFRRGWRF 0.55
63 RPPIGWRW 0.55
64 MPPRGFRF 0.55
65 RFPRGWRW 0.56
66 MPRRGMRW 0.57
67 RPRIGWRW 0.57
68 MPRRGFRF 0.57
69 RFRRGWRW 0.58
70 WPKIGWRF 0.58
71 WFKRGWRF 0.59
72 MPKRGMRW 0.61
73 RPKIGWRW 0.61
74 MPPRGWRY 0.61
75 WPPIGWRW 0.61
76 MPKRGFRF 0.62
77 RFKRGWRW 0.62
78 WFPRGWRW 0.62
79 WPRIGWRW 0.63
80 MPRRGWRY 0.63
81 WFRRGWRW 0.64
82 RPPRGMRY 0.64
83 MPPRGFRW 0.64
84 RPRRGMRY 0.66
85 MPRRGFRW 0.66
86 MPKRGWRY 0.67
87 MPPIGWRF 0.67
88 WPKIGWRW 0.67
89 WFKRGWRW 0.68
90 MFPRGWRF 0.68
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRRGWRF

3.39

-7.14

-3.75
2 RPRRGWRF

4.59

-7.64

-3.05
3 WPRRGMRF

4.99

-7.68

-2.69
4 MPRRGWRW

4.44

-7.06

-2.62
5 RPPRGMRW

4.11

-6.68

-2.57
6 WPKRGWRF

3.89

-6.27

-2.38
7 MPKRGWRW

3.65

-5.73

-2.08
8 RPPRGWRW

3.91

-5.99

-2.08
9 MPKRGWRF

3.86

-5.8

-1.94
10 RPKRGWRW

3.84

-5.75

-1.91
11 RPPRGWRY

3.69

-5.56

-1.87
12 MPPRGWRW

3.84

-5.56

-1.72
13 RPKRGWRF

3.77

-5.43

-1.66
14 RPRRGMRF

3.77

-5.35

-1.58
15 RPPRGMRF

4.56

-6.02

-1.46
16 RPRRGFRF

4.1

-5.48

-1.38
17 WPRRGWRW

3.97

-5.29

-1.32
18 RPPRGFRF

3.92

-5.07

-1.15
19 WPPRGMRF

3.79

-4.89

-1.1
20 MPPRGWRF

3.69

-4.74

-1.05
21 RPRRGWRW

4.15

-5.14

-0.99
22 WPKRGWRW

4.13

-5.11

-0.98
23 RPKRGMRF

3.79

-4.59

-0.8
24 RPKRGMRW

3.92

-4.45

-0.53
25 RPPRGWRF

3.57

-4.02

-0.45
26 WPKRGMRF

5.54

-5.88

-0.34
27 RPRRGMRW

4.09

-4.36

-0.27
28 WPPRGWRW

4.86

-5.03

-0.17
29 WPRRGWRF

4.31

-4.34

-0.03
30 WPPRGWRF

5.04

-4.75

0.29

 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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