Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-28.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 10
poly-Ala A
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 1.779 ΔGbinding -0.415
TOTAL
 1.364
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.390
Van der Waals -5.334 Backbone clash 0.116
Electrostatics 0.704 Helix dipole 0.000
Solvation Polar 6.439 Water bridges 0.000
Solvation Hyd -7.421 Disulfide 0.000
VdW clashes 3.213 Electrost. Kon 0.569
Entropy sc 0.890 Part.cov.bonds 0.000
Entropy mc

2.685

 ΔGstability

51.562
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-28.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_G2B-ABO-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 WERRIRYKHR 0.0
2 WERRIKYKHR 0.02
3 KERRIRYKHR 0.04
4 WEPRIRYKHR 0.04
5 WEPRIKYKHR 0.05
6 KERRIKYKHR 0.06
7 KEPRIRYKHR 0.08
8 WERRRRYKHR 0.09
9 KEPRIKYKHR 0.1
10 WERRIRFKHR 0.11
11 WERRRKYKHR 0.11
12 WEHRIRYKHR 0.12
13 WEHRIKYKHR 0.13
14 WEPRRRYKHR 0.13
15 WERRIRYPHR 0.13
16 FERRIRYKHR 0.13
17 WERRIKFKHR 0.13
18 KERRRRYKHR 0.14
19 WEPRRKYKHR 0.14
20 WERRIKYPHR 0.15
21 WERRIPYKHR 0.15
22 KERRRKYKHR 0.15
23 WEPRIRFKHR 0.15
24 FERRIKYKHR 0.15
25 KERRIRFKHR 0.16
26 KEHRIRYKHR 0.16
27 FEPRIRYKHR 0.17
28 KEPRRRYKHR 0.17
29 WEPRIKFKHR 0.17
30 KERRIKFKHR 0.17
31 WEPRIRYPHR 0.17
32 FEPRIKYKHR 0.18
33 KEHRIKYKHR 0.18
34 WEPRIKYPHR 0.18
35 KERRIRYPHR 0.18
36 WEPRIPYKHR 0.18
37 KEPRRKYKHR 0.19
38 KEPRIRFKHR 0.19
39 KERRIKYPHR 0.19
40 KERRIPYKHR 0.19
41 KEPRIRYPHR 0.21
42 WEHRRRYKHR 0.21
43 KEPRIKFKHR 0.21
44 WERRRRFKHR 0.21
45 WERRRKFKHR 0.22
46 WEHRIRFKHR 0.23
47 KEPRIKYPHR 0.23
48 FERRRRYKHR 0.23
49 KEPRIPYKHR 0.23
50 WERRIRYRHR 0.23
51 WEHRRKYKHR 0.23
52 WERRRRYPHR 0.23
53 WERRRPYKHR 0.24
54 WERRRKYPHR 0.24
55 WEPRRRFKHR 0.24
56 FERRRKYKHR 0.24
57 FERRIRFKHR 0.25
58 WEHRIKFKHR 0.25
59 KERRRRFKHR 0.25
60 WERRIKYRHR 0.25
61 WEHRIRYPHR 0.25
62 WERRIRFPHR 0.25
63 FEHRIRYKHR 0.25
64 WEPRRRYPHR 0.26
65 WEPRRKFKHR 0.26
66 WERRIKFPHR 0.26
67 FEPRRRYKHR 0.26
68 KEHRRRYKHR 0.26
69 FERRIKFKHR 0.26
70 WERRIPFKHR 0.26
71 FEHRIKYKHR 0.27
72 KERRRKFKHR 0.27
73 WEHRIPYKHR 0.27
74 FERRIRYPHR 0.27
75 WEHRIKYPHR 0.27
76 KEHRRKYKHR 0.27
77 KERRRRYPHR 0.27
78 WEPRIRYRHR 0.27
79 WEPRIKYRHR 0.28
80 WEPRRPYKHR 0.28
81 WERRIPYPHR 0.28
82 FEPRIRFKHR 0.28
83 FERRIPYKHR 0.28
84 FEPRRKYKHR 0.28
85 WEPRRKYPHR 0.28
86 WEPRIRFPHR 0.28
87 KERRIRYRHR 0.28
88 FERRIKYPHR 0.28
89 KEHRIRFKHR 0.28
90 KERRIRFPHR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WERRRRYKHR

3.66

-12.1

-8.44
2 KERRIRFKHR

4.56

-12.37

-7.81
3 WEPRIKFKHR

4.52

-11.55

-7.03
4 KERRIKYKHR

3.98

-10.93

-6.95
5 WEPRIRFKHR

4.56

-11.44

-6.88
6 WERRIRFKHR

3.72

-10.44

-6.72
7 WERRIKFKHR

3.64

-10.09

-6.45
8 WEHRIRYKHR

4.7

-11.11

-6.41
9 KERRIKFKHR

3.66

-9.94

-6.28
10 WERRRKYKHR

2.24

-8.27

-6.03
11 WEPRRRYKHR

5.44

-11.22

-5.78
12 KEPRRRYKHR

3.62

-9.35

-5.73
13 WEPRRKYKHR

4.15

-9.78

-5.63
14 KEPRIRYKHR

3.86

-9.4

-5.54
15 WERRIRYPHR

3.37

-8.66

-5.29
16 KERRRRYKHR

2.99

-8.08

-5.09
17 KEPRIKYKHR

3.63

-8.08

-4.45
18 WEPRIRYKHR

4.62

-9.02

-4.4
19 WERRIRYKHR

4.05

-8.42

-4.37
20 FERRIKYKHR

3.63

-7.92

-4.29
21 KEHRIRYKHR

3.7

-7.86

-4.16
22 KERRIRYKHR

3.74

-7.83

-4.09
23 FERRIRYKHR

4.51

-8.59

-4.08
24 KERRRKYKHR

5.1

-9.16

-4.06
25 WERRIKYPHR

4.12

-8.18

-4.06
26 WEPRIKYKHR

4.63

-8.56

-3.93
27 WERRIPYKHR

4.71

-8.5

-3.79
28 WEHRIKYKHR

4.94

-8.52

-3.58
29 FEPRIRYKHR

4.94

-8.48

-3.54
30 WERRIKYKHR

4.56

-8.07

-3.51

 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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