Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-8.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 2.614 ΔGbinding -1.979
TOTAL
 0.635
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.747
Van der Waals -4.049 Backbone clash 3.028
Electrostatics 0.211 Helix dipole 0.000
Solvation Polar 4.565 Water bridges 0.006
Solvation Hyd -5.286 Disulfide 0.000
VdW clashes 0.857 Electrost. Kon 0.221
Entropy sc 0.800 Part.cov.bonds 0.000
Entropy mc

2.999

 ΔGstability

83.554
       

Predicted ligand sequences for model [BZZ1-D1_2A28-8.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_2A28-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 FWRFRMHR 0.0
2 FWRFRSHR 0.03
3 RWRFRMHR 0.05
4 DWRFRMHR 0.07
5 RWRFRSHR 0.08
6 FWRPRMHR 0.09
7 DWRFRSHR 0.1
8 FWRFRMER 0.11
9 FWRPRSHR 0.12
10 FWRWRMHR 0.12
11 FWRFRMHK 0.13
12 FWRFRPHR 0.13
13 FWRFRSER 0.14
14 RWRPRMHR 0.14
15 FWRWRSHR 0.15
16 FWRFRMDR 0.16
17 FWRFRSHK 0.16
18 DWRPRMHR 0.16
19 RWRWRMHR 0.17
20 RWRFRMER 0.17
21 FWRFRMHH 0.17
22 RWRPRSHR 0.17
23 DWRFRMER 0.18
24 DWRPRSHR 0.19
25 RWRFRMHK 0.19
26 RWRFRPHR 0.19
27 FWRFRSDR 0.19
28 DWRWRMHR 0.19
29 FWRFRSHH 0.2
30 RWRFRSER 0.2
31 DWRFRMHK 0.2
32 FWRPRMER 0.2
33 DWRFRPHR 0.2
34 RWRWRSHR 0.2
35 RWRFRMDR 0.21
36 DWRFRSER 0.21
37 RWRFRSHK 0.22
38 FWRPRPHR 0.22
39 FWRPRMHK 0.22
40 DWRWRSHR 0.22
41 DWRFRMDR 0.23
42 FWRWRMER 0.23
43 DWRFRSHK 0.23
44 RWRFRMHH 0.23
45 FWRPRSER 0.23
46 RWRFRSDR 0.24
47 DWRFRMHH 0.24
48 FWRPRSHK 0.25
49 FWRFRMEK 0.25
50 FWRWRPHR 0.25
51 FWRPRMDR 0.25
52 FWRFRPER 0.25
53 FWRWRMHK 0.25
54 RWRPRMER 0.26
55 RWRFRSHH 0.26
56 DWRFRSDR 0.26
57 FWRWRSER 0.26
58 FWRPRMHH 0.26
59 FWRFRPHK 0.27
60 DWRFRSHH 0.27
61 DWRPRMER 0.27
62 FWRWRSHK 0.28
63 FWRWRMDR 0.28
64 RWRPRMHK 0.28
65 FWRPRSDR 0.28
66 RWRPRPHR 0.28
67 FWRFRSEK 0.28
68 FWRPRSHH 0.29
69 RWRPRSER 0.29
70 FWRFRMDK 0.29
71 RWRWRMER 0.29
72 FWRFRMEH 0.29
73 DWRPRPHR 0.29
74 FWRFRPDR 0.29
75 FWRWRMHH 0.29
76 DWRPRMHK 0.29
77 RWRFRPER 0.3
78 RWRFRMEK 0.3
79 DWRWRMER 0.3
80 DWRPRSER 0.3
81 RWRPRMDR 0.3
82 RWRWRMHK 0.31
83 FWRFRPHH 0.31
84 FWRWRSDR 0.31
85 RWRWRPHR 0.31
86 RWRPRSHK 0.31
87 DWRWRPHR 0.32
88 FWRFRSEH 0.32
89 DWRFRMEK 0.32
90 FWRWRSHH 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWRWRMHR

5.72

-9.4

-3.68
2 FWRFRSDR

4.68

-8.01

-3.33
3 FWRFRMDR

4.8

-7.95

-3.15
4 DWRFRMHR

4.39

-7.5

-3.11
5 RWRPRSHR

5.0

-8.05

-3.05
6 DWRPRSHR

4.64

-7.65

-3.01
7 RWRFRSHR

4.34

-7.27

-2.93
8 RWRFRMHR

4.29

-7.2

-2.91
9 FWRPRMHR

4.84

-7.72

-2.88
10 FWRFRMHK

4.21

-6.91

-2.7
11 DWRWRMHR

5.5

-8.16

-2.66
12 RWRPRMHR

5.16

-7.78

-2.62
13 RWRFRPHR

5.2

-7.5

-2.3
14 DWRFRMER

4.35

-6.53

-2.18
15 RWRWRMHR

5.34

-7.5

-2.16
16 FWRFRPHR

6.08

-8.1

-2.02
17 RWRFRMHK

4.79

-6.73

-1.94
18 FWRPRSHR

4.42

-6.36

-1.94
19 DWRFRSHR

4.71

-6.61

-1.9
20 FWRFRMER

4.78

-6.54

-1.76
21 RWRFRMER

5.36

-7.01

-1.65
22 FWRFRSHK

4.21

-5.82

-1.61
23 FWRWRSHR

4.8

-6.31

-1.51
24 FWRFRMHR

4.81

-6.28

-1.47
25 DWRPRMHR

6.0

-7.41

-1.41
26 RWRFRSER

4.74

-5.95

-1.21
27 FWRFRSHR

4.19

-5.04

-0.85
28 FWRFRSER

4.79

-5.26

-0.47
29 FWRFRMHH

4.46

-4.91

-0.45
30 FWRFRSHH

3.75

-3.77

-0.02

 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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