Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-4.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    

(Help)

Intraclash 3.560 ΔGbinding 1.682
TOTAL
 5.242
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.273
Van der Waals -5.768 Backbone clash 0.003
Electrostatics -0.342 Helix dipole 0.000
Solvation Polar 6.285 Water bridges 0.001
Solvation Hyd -8.285 Disulfide 0.000
VdW clashes 7.002 Electrost. Kon -0.449
Entropy sc 0.924 Part.cov.bonds 0.000
Entropy mc

2.318

 ΔGstability

53.150
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRRYWFRRRR 0.0
2 YRRYWFRPRR 0.0
3 YRRYWFRRMR 0.03
4 YRRYWFRPMR 0.04
5 YRPYWFRRRR 0.05
6 YRPYWFRPRR 0.05
7 YRKYWFRRRR 0.07
8 YRKYWFRPRR 0.07
9 YRPYWFRRMR 0.08
10 YRRYWFRRKR 0.08
11 YRRYWFRERR 0.08
12 YRRYWFRPKR 0.08
13 YRPYWFRPMR 0.09
14 YRKYWFRRMR 0.1
15 YRKYWFRPMR 0.11
16 YRRYWFREMR 0.12
17 YRPYWFRERR 0.13
18 YRPYWFRPKR 0.13
19 YPRYWFRPRR 0.13
20 YPRYWFRRRR 0.13
21 YRPYWFRRKR 0.13
22 YRKYWFRRKR 0.15
23 YRKYWFRPKR 0.15
24 YRKYWFRERR 0.15
25 YPRYWFRPMR 0.16
26 YPRYWFRRMR 0.16
27 YRPYWFREMR 0.16
28 YRRYWFREKR 0.16
29 YPPYWFRRRR 0.17
30 YPPYWFRPRR 0.18
31 YRRYWFRRRW 0.19
32 YRKYWFREMR 0.19
33 YRRYWFRPRW 0.19
34 YPKYWFRRRR 0.2
35 YPKYWFRPRR 0.2
36 YPPYWFRPMR 0.21
37 YRPYWFREKR 0.21
38 YPRYWFRPKR 0.21
39 YPRYWFRRKR 0.21
40 YPPYWFRRMR 0.21
41 YPRYWFRERR 0.21
42 YRRYWFRRMW 0.22
43 YPKYWFRRMR 0.23
44 YRKYWFREKR 0.23
45 YPKYWFRPMR 0.23
46 YRRYWFRPMW 0.23
47 YRPYWFRRRW 0.24
48 YRPYWFRPRW 0.24
49 YPRYWFREMR 0.24
50 YPPYWFRERR 0.26
51 YRKYWFRRRW 0.26
52 YRKYWFRPRW 0.26
53 YPPYWFRRKR 0.26
54 YPPYWFRPKR 0.26
55 YRPYWFRRMW 0.27
56 YRRYWFRRKW 0.27
57 YRRYWFRERW 0.27
58 YRRYWFRPKW 0.27
59 YPKYWFRRKR 0.28
60 YPKYWFRPKR 0.28
61 YPKYWFRERR 0.28
62 YRPYWFRPMW 0.28
63 YRKYWFRRMW 0.29
64 YRRYRFRRRR 0.29
65 YPPYWFREMR 0.29
66 YRRYRFRPRR 0.29
67 YPRYWFREKR 0.29
68 YRRYWFREMW 0.3
69 YRKYWFRPMW 0.3
70 YRRYKFRPRR 0.31
71 YPKYWFREMR 0.31
72 YRRYKFRRRR 0.31
73 YRPYWFRERW 0.32
74 YRRYRFRRMR 0.32
75 YRPYWFRPKW 0.32
76 YRRYRFRPMR 0.32
77 YPRYWFRPRW 0.32
78 YPRYWFRRRW 0.32
79 YRPYWFRRKW 0.32
80 YRRYKFRPMR 0.34
81 YPPYWFREKR 0.34
82 YRPYRFRPRR 0.34
83 YRPYRFRRRR 0.34
84 YRKYWFRRKW 0.34
85 YRKYWFRPKW 0.34
86 YRRYKFRRMR 0.34
87 YRKYWFRERW 0.34
88 YPRYWFRPMW 0.35
89 YPRYWFRRMW 0.35
90 YRPYKFRRRR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRYWFRRMR

3.85

-15.42

-11.57
2 YPRYWFRPMR

4.4

-13.64

-9.24
3 YPPYWFRRRR

3.39

-11.06

-7.67
4 YPRYWFRRRR

3.84

-10.04

-6.2
5 YRKYWFRRRR

5.29

-10.45

-5.16
6 YRPYWFREMR

4.49

-9.24

-4.75
7 YRRYWFREKR

3.51

-8.02

-4.51
8 YRKYWFRPMR

5.32

-9.67

-4.35
9 YPPYWFRPRR

5.08

-9.37

-4.29
10 YRPYWFRRMR

3.47

-7.63

-4.16
11 YRRYWFRPMR

3.51

-7.33

-3.82
12 YRRYWFREMR

3.48

-7.13

-3.65
13 YRRYWFRRRR

3.85

-7.43

-3.58
14 YRKYWFRPRR

3.38

-6.65

-3.27
15 YRKYWFRRMR

3.29

-6.32

-3.03
16 YRKYWFRPKR

3.65

-6.6

-2.95
17 YPRYWFRPRR

4.46

-7.38

-2.92
18 YRPYWFRPRR

3.4

-6.11

-2.71
19 YRRYWFRPKR

3.25

-5.95

-2.7
20 YRRYWFRPRR

3.35

-6.05

-2.7
21 YRRYWFRERR

3.83

-6.45

-2.62
22 YRPYWFRRRR

3.62

-6.22

-2.6
23 YRPYWFRERR

4.24

-6.68

-2.44
24 YRPYWFRRKR

4.78

-6.99

-2.21
25 YRRYWFRRKR

4.93

-7.08

-2.15
26 YRPYWFRPKR

3.66

-5.12

-1.46
27 YRKYWFRRKR

3.84

-5.02

-1.18
28 YRKYWFRERR

3.78

-4.81

-1.03
29 YRRYWFRRMR

4.92

-5.73

-0.81
30 YRPYWFRPMR

4.19

-4.56

-0.37

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER