Predicted ligand sequences


ADAN-name: 1JPW3.PDB (view again the scoring matrix)

PDB name: [1JPW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D L A D V K S S L V N
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
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 4.032 ΔGbinding -16.637
TOTAL
 -12.605
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -6.787 Torsional clash 0.703
Van der Waals -9.230 Backbone clash 0.873
Electrostatics -0.686 Helix dipole 0.125
Solvation Polar 8.869 Water bridges -0.151
Solvation Hyd -15.696 Disulfide 0.000
VdW clashes 0.903 Electrost. Kon -0.681
Entropy sc 5.918 Part.cov.bonds 0.000
Entropy mc

0.963

 ΔGstability

45.761
       

Predicted ligand sequences for template [1JPW3.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).
 
  1JPW3.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMyWDQETLTy 0.0
2 WMyWDQETLDy 0.02
3 WLyWDQETLTy 0.07
4 WLyWDQETLDy 0.1
5 WMyWDQWTLTy 0.11
6 sMyWDQETLTy 0.13
7 WMyWDQWTLDy 0.14
8 WMyWDQyTLTy 0.15
9 WMyMDQETLTy 0.15
10 sMyWDQETLDy 0.16
11 WMyWDQyTLDy 0.18
12 WMyMDQETLDy 0.18
13 WLyWDQWTLTy 0.19
14 sLyWDQETLTy 0.21
15 WLyWDQWTLDy 0.21
16 WLyWDQyTLTy 0.22
17 WLyMDQETLTy 0.22
18 sLyWDQETLDy 0.23
19 WLyMDQETLDy 0.25
20 WLyWDQyTLDy 0.25
21 sMyWDQWTLTy 0.25
22 WMyMDQWTLTy 0.27
23 sMyWDQWTLDy 0.27
24 WMyFDQETLTy 0.28
25 sMyWDQyTLTy 0.29
26 WMyMDQWTLDy 0.29
27 sMyMDQETLTy 0.29
28 WMyWDQETLEy 0.31
29 WMyFDQETLDy 0.31
30 WMyMDQyTLTy 0.31
31 sMyMDQETLDy 0.31
32 sMyWDQyTLDy 0.31
33 sLyWDQWTLTy 0.32
34 WMyMDQyTLDy 0.33
35 WLyMDQWTLTy 0.34
36 sLyWDQWTLDy 0.34
37 WLyFDQETLTy 0.35
38 sLyMDQETLTy 0.36
39 sLyWDQyTLTy 0.36
40 WLyMDQWTLDy 0.36
41 WMyWDQETLTD 0.38
42 WLyMDQyTLTy 0.38
43 WLyFDQETLDy 0.38
44 WLyWDQETLEy 0.38
45 WMyWDQESLTy 0.38
46 sLyMDQETLDy 0.38
47 sLyWDQyTLDy 0.38
48 WMyWDQETLTE 0.4
49 WMyFDQWTLTy 0.4
50 WMyWDQESLDy 0.4
51 sMyMDQWTLTy 0.4
52 WLyMDQyTLDy 0.4
53 WMyWDQETLDD 0.4
54 sMyFDQETLTy 0.41
55 WMyFDQWTLDy 0.42
56 WMyWDQWTLEy 0.42
57 WMyWNQETLTy 0.42
58 sMyMDQWTLDy 0.42
59 WMyFDQyTLTy 0.43
60 WMyWDQETLDE 0.43
61 sMyFDQETLDy 0.44
62 WMyWNQETLDy 0.44
63 sMyWDQETLEy 0.44
64 sMyMDQyTLTy 0.44
65 WLyWDQETLTD 0.45
66 WLyWDQESLTy 0.45
67 WMyFDQyTLDy 0.46
68 sMyMDQyTLDy 0.46
69 WMyWDQyTLEy 0.46
70 WMyMDQETLEy 0.46
71 WLyWDQETLTE 0.47
72 sLyMDQWTLTy 0.47
73 WLyWDQETLDD 0.47
74 WLyWDQESLDy 0.47
75 WLyFDQWTLTy 0.47
76 WMyWIQETLTy 0.48
77 WLyWNQETLTy 0.49
78 WMyWDQWSLTy 0.49
79 WMyWDQWTLTD 0.49
80 WLyWDQWTLEy 0.49
81 WLyFDQWTLDy 0.49
82 sLyFDQETLTy 0.49
83 sLyMDQWTLDy 0.5
84 WLyWDQETLDE 0.5
85 WMyWIQETLDy 0.5
86 sLyMDQyTLTy 0.51
87 sLyWDQETLEy 0.51
88 WLyWNQETLDy 0.51
89 sMyWDQETLTD 0.51
90 sMyWDQESLTy 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sMyMDQETLTy

3.62

-18.98

-15.36
2 WLyMDQETLTy

3.87

-18.76

-14.89
3 WMyMDQETLTy

3.82

-18.31

-14.49
4 WMyWDQyTLTy

5.13

-19.6

-14.47
5 WMyWDQWTLDy

4.54

-18.98

-14.44
6 WMyWDQyTLDy

4.05

-18.46

-14.41
7 WLyWDQETLDy

4.12

-18.5

-14.38
8 WMyMDQETLDy

4.37

-18.19

-13.82
9 WLyWDQyTLTy

3.31

-17.04

-13.73
10 WMyWDQETLEy

4.01

-17.65

-13.64
11 WLyWDQETLTy

3.67

-17.31

-13.64
12 sMyWDQETLDy

4.17

-17.81

-13.64
13 sMyWDQWTLTy

4.65

-18.23

-13.58
14 WMyWDQWTLTy

5.57

-18.68

-13.11
15 sMyWDQETLTy

4.16

-17.25

-13.09
16 WLyMDQETLDy

4.27

-17.28

-13.01
17 sMyWDQWTLDy

5.14

-18.11

-12.97
18 WMyWDQETLTy

3.86

-16.77

-12.91
19 WMyMDQWTLDy

4.87

-17.76

-12.89
20 WLyWDQWTLTy

4.1

-16.98

-12.88
21 WMyFDQETLTy

3.94

-16.49

-12.55
22 WLyWDQyTLDy

4.76

-17.26

-12.5
23 WMyWDQETLDy

4.16

-16.56

-12.4
24 WMyMDQWTLTy

3.81

-16.03

-12.22
25 sLyWDQETLDy

4.53

-16.3

-11.77
26 WMyFDQETLDy

3.84

-15.53

-11.69
27 WLyWDQWTLDy

4.11

-15.65

-11.54
28 sLyWDQETLTy

4.2

-15.46

-11.26
29 WMyMDQyTLTy

3.58

-14.74

-11.16
30 sMyWDQyTLTy

4.22

-15.0

-10.78

 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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