Predicted ligand sequences


ADAN-name: 2D1X3.PDB (view again the scoring matrix)

PDB name: [2D1X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R P P P P P P G
position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
 A A
A
A
 A
A
G

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 1.797 ΔGbinding -12.990
TOTAL
 -11.193
Backbone Hb -1.520 Cis_bond 0.000
Sidechain Hb -2.210 Torsional clash 0.030
Van der Waals -6.700 Backbone clash 0.570
Electrostatics -2.390 Helix dipole 0.000
Solvation Polar 6.020 Water bridges -0.260
Solvation Hyd -8.450 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -1.700
Entropy sc 3.240 Part.cov.bonds 0.000
Entropy mc

0.770

 ΔGstability

-7.660
       

Predicted ligand sequences for template [2D1X3.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).
 
  2D1X3.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRRPPDNRR 0.0
2 YRKPPDNRR 0.0
3 YRRPPDNRH 0.02
4 YRRPPDNRY 0.02
5 YRKPPDNRY 0.02
6 YRKPPDNRH 0.02
7 YRRPPWNRR 0.03
8 YRKPPWNRR 0.03
9 YRRPPWNRH 0.05
10 YRRPPWNRY 0.05
11 YRKPPWNRY 0.05
12 YRKPPWNRH 0.05
13 YRKPPENRR 0.06
14 YRRPPENRR 0.07
15 YRKPPENRY 0.08
16 YRKPPENRH 0.08
17 YRRPPENRY 0.09
18 YRRPPENRH 0.09
19 YRKPPDKRR 0.17
20 YRRPPDMRR 0.17
21 YRKPPDMRR 0.17
22 YRRPPDKRR 0.18
23 YRKPPDKRY 0.19
24 YRKPPDKRH 0.19
25 YRRPPDMRH 0.19
26 YRRPPDMRY 0.19
27 YRKPPWMRR 0.19
28 YRKPPDMRY 0.19
29 YRKPPDMRH 0.19
30 YRKPPWKRR 0.2
31 YRRPPDKRY 0.2
32 YRRPPDKRH 0.2
33 YRRPPWMRR 0.2
34 YRRPPWKRR 0.2
35 YRKPPWMRY 0.21
36 YRKPPWMRH 0.21
37 YRHPPDNRR 0.21
38 YRKPPWKRH 0.22
39 YRKPPWKRY 0.22
40 YRRPPWMRH 0.22
41 YRRPPWMRY 0.22
42 YRRPPWKRH 0.22
43 YRRPPWKRY 0.22
44 YRRPPEMRR 0.23
45 YRKLPDNRR 0.23
46 YRKPPEMRR 0.23
47 YRHPPDNRH 0.23
48 YRHPPDNRY 0.23
49 YRKPPEKRR 0.24
50 YRRLPDNRR 0.24
51 YRHPPWNRR 0.24
52 YRRPPEKRR 0.24
53 YRRPPEMRH 0.25
54 YRRPPEMRY 0.25
55 YRKLPDNRH 0.25
56 YRKLPDNRY 0.25
57 YRKPPEMRY 0.25
58 YRKPPEMRH 0.25
59 YRRLPDNRH 0.26
60 YRKPPEKRY 0.26
61 YRKPPEKRH 0.26
62 YRRLPDNRY 0.26
63 YRHPPWNRY 0.26
64 YRKLPWNRR 0.26
65 YRHPPWNRH 0.26
66 YRRPPEKRH 0.26
67 YRRPPEKRY 0.26
68 YRRLPWNRR 0.26
69 YRHPPENRR 0.28
70 YRKLPWNRY 0.28
71 YRKLPWNRH 0.28
72 YRRLPWNRH 0.28
73 YRRLPWNRY 0.28
74 YRHPPENRH 0.3
75 YRHPPENRY 0.3
76 YRKLPENRR 0.3
77 YRRLPENRR 0.3
78 YRKFPDNRR 0.31
79 YRRFPDNRR 0.32
80 YRKLPENRY 0.32
81 YRRLPENRY 0.32
82 YRKLPENRH 0.32
83 YRRLPENRH 0.32
84 YRKFPDNRY 0.33
85 YRKFPDNRH 0.33
86 YRKFPWNRR 0.34
87 YRRFPWNRR 0.34
88 YRRFPDNRY 0.34
89 YRRFPDNRH 0.34
90 YRKFPWNRH 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRRPPDMRR

2.29

-15.47

-13.18
2 YRRPPENRH

2.87

-15.84

-12.97
3 YRKPPENRH

3.93

-16.87

-12.94
4 YRRPPENRY

3.31

-16.08

-12.77
5 YRRPPDMRY

2.26

-14.97

-12.71
6 YRRPPDNRY

3.18

-15.78

-12.6
7 YRKPPWNRR

3.1

-15.61

-12.51
8 YRKPPENRR

4.09

-16.59

-12.5
9 YRKPPDMRY

2.86

-15.18

-12.32
10 YRKPPWNRH

3.15

-15.46

-12.31
11 YRRPPDNRR

3.34

-15.63

-12.29
12 YRKPPDMRR

3.39

-15.64

-12.25
13 YRKPPDKRY

3.17

-15.27

-12.1
14 YRKPPDMRH

2.93

-14.98

-12.05
15 YRRPPDMRH

3.2

-15.22

-12.02
16 YRRPPWNRH

2.39

-14.4

-12.01
17 YRRPPENRR

3.12

-15.07

-11.95
18 YRKPPWNRY

3.13

-14.99

-11.86
19 YRRPPDKRR

2.48

-14.19

-11.71
20 YRRPPWNRR

3.03

-14.7

-11.67
21 YRKPPDKRR

3.03

-14.66

-11.63
22 YRRPPDNRH

2.15

-13.65

-11.5
23 YRKPPWMRR

3.41

-14.91

-11.5
24 YRKPPWKRR

3.13

-14.43

-11.3
25 YRKPPDNRR

3.55

-14.78

-11.23
26 YRRPPWNRY

2.29

-13.48

-11.19
27 YRKPPENRY

2.95

-13.81

-10.86
28 YRKPPDNRY

3.16

-13.63

-10.47
29 YRKPPDNRH

2.8

-13.12

-10.32
30 YRKPPDKRH

3.09

-13.35

-10.26

 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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