Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-26.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
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 1.896 ΔGbinding -1.425
TOTAL
 0.471
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.342
Van der Waals -3.451 Backbone clash 0.073
Electrostatics 0.299 Helix dipole 0.000
Solvation Polar 3.637 Water bridges -0.055
Solvation Hyd -4.466 Disulfide 0.000
VdW clashes 0.751 Electrost. Kon 0.325
Entropy sc 0.416 Part.cov.bonds 0.000
Entropy mc

2.053

 ΔGstability

15.925
       

Predicted ligand sequences for model [BZZ1-D2_2A28-26.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_2A28-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 SDRPRRRPK 0.0
2 SDRPRRRPR 0.02
3 SDRPKRRPK 0.03
4 SRRPRRRPK 0.04
5 RDRPRRRPK 0.05
6 SDRPKRRPR 0.05
7 SRRPRRRPR 0.06
8 SRRPKRRPK 0.07
9 RDRPRRRPR 0.08
10 RRRPRRRPK 0.09
11 SRRPKRRPR 0.09
12 RDRPKRRPK 0.09
13 RDRPKRRPR 0.11
14 RRRPRRRPR 0.11
15 SDRPHRRPK 0.11
16 RRRPKRRPK 0.12
17 SDRPHRRPR 0.13
18 SDRPRRRRK 0.13
19 SERPRRRPK 0.14
20 SRRPHRRPK 0.14
21 RRRPKRRPR 0.15
22 SDRPRRRRR 0.15
23 SERPRRRPR 0.16
24 RDRPHRRPK 0.16
25 SDRPKRRRK 0.17
26 SRRPRRRRK 0.17
27 SERPKRRPK 0.17
28 SRRPHRRPR 0.17
29 RDRPHRRPR 0.18
30 SDRPKRRRR 0.19
31 SRRPRRRRR 0.19
32 RDRPRRRRK 0.19
33 SERPKRRPR 0.2
34 RERPRRRPK 0.2
35 RRRPHRRPK 0.2
36 SRRPKRRRK 0.2
37 RDRPRRRRR 0.21
38 RERPRRRPR 0.22
39 RRRPHRRPR 0.22
40 RDRPKRRRK 0.22
41 KDRPRRRPK 0.22
42 SRRPKRRRR 0.23
43 RRRPRRRRK 0.23
44 RERPKRRPK 0.23
45 RDRPKRRRR 0.24
46 KDRPRRRPR 0.24
47 SDRPHRRRK 0.24
48 RRRPRRRRR 0.25
49 SDRRRRRPK 0.25
50 SERPHRRPK 0.25
51 KDRPKRRPK 0.25
52 RERPKRRPR 0.25
53 SDRPHRRRR 0.26
54 KRRPRRRPK 0.26
55 RRRPKRRRK 0.26
56 SERPHRRPR 0.27
57 KDRPKRRPR 0.28
58 SRRPHRRRK 0.28
59 SERPRRRRK 0.28
60 KRRPRRRPR 0.28
61 RRRPKRRRR 0.28
62 SDRRRRRPR 0.28
63 SRRRRRRPK 0.29
64 RDRPHRRRK 0.29
65 SDRRKRRPK 0.29
66 KRRPKRRPK 0.29
67 SERPRRRRR 0.3
68 SRRPHRRRR 0.3
69 RERPHRRPK 0.3
70 SRRRRRRPR 0.31
71 SERPKRRRK 0.31
72 RDRRRRRPK 0.31
73 SDRRKRRPR 0.31
74 KRRPKRRPR 0.31
75 SRRRKRRPK 0.32
76 RDRPHRRRR 0.32
77 RERPHRRPR 0.32
78 RDRRRRRPR 0.33
79 SERPKRRRR 0.33
80 RERPRRRRK 0.33
81 RRRPHRRRK 0.33
82 KDRPHRRPK 0.33
83 SDRFRRRPK 0.34
84 RDRRKRRPK 0.34
85 KDRPRRRRK 0.35
86 RRRRRRRPK 0.35
87 SRRRKRRPR 0.35
88 RRRPHRRRR 0.35
89 RERPRRRRR 0.35
90 KDRPHRRPR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SRRPKRRPR

3.37

-11.55

-8.18
2 SDRPRRRRR

3.08

-11.24

-8.16
3 SERPRRRPR

2.81

-10.94

-8.13
4 SRRPHRRPR

3.12

-11.21

-8.09
5 SDRPKRRPR

2.34

-10.29

-7.95
6 RRRPRRRPR

2.71

-10.55

-7.84
7 RRRPKRRPR

3.23

-10.9

-7.67
8 SRRPRRRPK

2.45

-10.12

-7.67
9 RDRPHRRPR

3.01

-10.55

-7.54
10 SRRPKRRPK

2.57

-10.11

-7.54
11 SDRPHRRPR

2.95

-10.45

-7.5
12 RRRPKRRPK

3.44

-10.93

-7.49
13 SDRPKRRRK

2.51

-9.96

-7.45
14 RDRPHRRPK

3.39

-10.81

-7.42
15 SDRPRRRPR

2.76

-10.17

-7.41
16 SRRPRRRPR

3.41

-10.77

-7.36
17 SERPRRRPK

2.53

-9.77

-7.24
18 SDRPHRRPK

2.57

-9.42

-6.85
19 SDRPRRRPK

2.88

-9.72

-6.84
20 SRRPRRRRK

2.6

-9.29

-6.69
21 RRRPRRRPK

2.53

-9.06

-6.53
22 RDRPKRRPR

3.03

-9.41

-6.38
23 SRRPHRRPK

2.7

-8.89

-6.19
24 SDRPRRRRK

2.31

-8.48

-6.17
25 RDRPKRRPK

3.27

-9.43

-6.16
26 SDRPKRRRR

2.6

-8.6

-6.0
27 SDRPKRRPK

3.0

-8.82

-5.82
28 RDRPRRRPK

2.62

-8.42

-5.8
29 RDRPRRRPR

3.57

-9.34

-5.77
30 SERPKRRPK

2.72

-8.31

-5.59

 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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