Predicted ligand sequences


ADAN-name: 1YVL2.PDB (view again the scoring matrix)

PDB name: [1YVL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y D K P H
position 1 2 3 4 5
poly-Ala
y
 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 11.049 ΔGbinding -10.220
TOTAL
 0.829
Backbone Hb -6.940 Cis_bond 0.000
Sidechain Hb -7.250 Torsional clash 0.350
Van der Waals -8.980 Backbone clash 1.390
Electrostatics -3.140 Helix dipole -0.010
Solvation Polar 17.530 Water bridges -0.640
Solvation Hyd -9.650 Disulfide 0.000
VdW clashes 0.910 Electrost. Kon -1.510
Entropy sc 3.910 Part.cov.bonds 0.000
Entropy mc

5.180

 ΔGstability

66.990
       

Predicted ligand sequences for template [1YVL2.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).
 
  1YVL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDLGR 0.0
2 yDLPR 0.0
3 yDLHR 0.02
4 yDLTR 0.06
5 yDLNR 0.11
6 yyLPR 0.2
7 yyLGR 0.2
8 yyLHR 0.21
9 yyLTR 0.25
10 yyLNR 0.3
11 yLLPR 0.51
12 yLLGR 0.51
13 yLLHR 0.53
14 yLLTR 0.57
15 yLLNR 0.61
16 yQLPR 0.72
17 yQLGR 0.72
18 yQLHR 0.74
19 yDKGR 0.77
20 yQLTR 0.78
21 yDKPR 0.78
22 yDWPR 0.79
23 yDWGR 0.79
24 yDKHR 0.79
25 yDWHR 0.81
26 yDKTR 0.83
27 yQLNR 0.83
28 yDWTR 0.85
29 yDKNR 0.88
30 yDWNR 0.89
31 yNLPR 0.92
32 yNLGR 0.92
33 yDyGR 0.93
34 yDyPR 0.93
35 yNLHR 0.94
36 yDyHR 0.95
37 yyKGR 0.97
38 yyKPR 0.97
39 yyWPR 0.98
40 yyWGR 0.98
41 yNLTR 0.98
42 yDyTR 0.99
43 yyKHR 0.99
44 yyWHR 1.0
45 yNLNR 1.02
46 yyKTR 1.03
47 yDyNR 1.04
48 yyWTR 1.04
49 yyKNR 1.07
50 yyWNR 1.09
51 yyyGR 1.13
52 yyyPR 1.13
53 yyyHR 1.15
54 yyyTR 1.19
55 yyyNR 1.23
56 yLKPR 1.28
57 yLKGR 1.28
58 yLKHR 1.3
59 yLWPR 1.3
60 yLWGR 1.3
61 yLWHR 1.32
62 yLKTR 1.34
63 yLWTR 1.36
64 yLKNR 1.39
65 yLWNR 1.4
66 yLyGR 1.44
67 yLyPR 1.44
68 yLyHR 1.46
69 yLyTR 1.5
70 yQKPR 1.5
71 yQKGR 1.5
72 yQWPR 1.51
73 yQKHR 1.51
74 yQWGR 1.51
75 yQWHR 1.53
76 yQKTR 1.55
77 yLyNR 1.55
78 yQWTR 1.57
79 yQKNR 1.6
80 yQWNR 1.62
81 yQyGR 1.66
82 yQyPR 1.66
83 yQyHR 1.67
84 yNKGR 1.69
85 yNKPR 1.69
86 yNKHR 1.71
87 yNWPR 1.71
88 yNWGR 1.71
89 yQyTR 1.71
90 yNWHR 1.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yDWPR

11.86

-14.37

-2.51
2 yyLPR

12.22

-14.4

-2.18
3 yDLTR

11.68

-13.61

-1.93
4 yQLPR

10.83

-12.74

-1.91
5 yyLNR

12.22

-14.02

-1.8
6 yDLGR

11.2

-12.96

-1.76
7 yDLPR

11.23

-12.88

-1.65
8 yDKHR

11.3

-12.71

-1.41
9 yDKGR

11.08

-12.46

-1.38
10 yDKNR

11.51

-12.86

-1.35
11 yQLGR

10.72

-11.88

-1.16
12 yDWGR

11.65

-12.8

-1.15
13 yDLHR

11.95

-13.06

-1.11
14 yDWHR

12.57

-13.42

-0.85
15 yDKPR

10.71

-11.37

-0.66
16 yLLPR

11.47

-12.12

-0.65
17 yyLTR

12.45

-12.98

-0.53
18 yQLTR

10.8

-11.31

-0.51
19 yyLGR

12.19

-12.61

-0.42
20 yDKTR

10.89

-11.31

-0.42
21 yyLHR

12.58

-12.82

-0.24
22 yLLGR

11.45

-11.55

-0.1
23 yDLNR

13.12

-13.22

-0.1
24 yQLNR

11.58

-11.68

-0.1
25 yDWNR

12.49

-12.52

-0.03
26 yLLHR

11.78

-11.1

0.68
27 yQLHR

11.87

-11.13

0.74
28 yLLTR

11.62

-10.85

0.77
29 yLLNR

13.09

-12.3

0.79
30 yDWTR

12.09

-10.67

1.42

 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