Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-28.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    

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Intraclash 3.670 ΔGbinding 1.232
TOTAL
 4.902
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.174
Van der Waals -4.223 Backbone clash 0.133
Electrostatics 1.084 Helix dipole 0.000
Solvation Polar 5.286 Water bridges 0.000
Solvation Hyd -6.249 Disulfide 0.000
VdW clashes 0.778 Electrost. Kon 0.839
Entropy sc 0.412 Part.cov.bonds 0.000
Entropy mc

3.131

 ΔGstability

55.423
       

Predicted ligand sequences for model [BUD14_1SEM-28.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).
 
  BUD14_1SEM-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRYIKLPWQ 0.0
2 RRRYIKLPWL 0.01
3 RRRYIKLPWM 0.02
4 RRRYIPLPWQ 0.03
5 RRRYIPLPWL 0.04
6 RRRYIPLPWM 0.05
7 RRRIIKLPWQ 0.07
8 RRRIIKLPWL 0.08
9 RRRYLKLPWQ 0.09
10 RRRYIKLPMQ 0.09
11 RRRIIKLPWM 0.09
12 RRRYLKLPWL 0.1
13 RRRIIPLPWQ 0.1
14 RRRYIKLPML 0.1
15 RRRYLKLPWM 0.11
16 RRRIIPLPWL 0.11
17 RRRYIKLPMM 0.11
18 RRRYMKLPWQ 0.12
19 RRRIIPLPWM 0.12
20 RRRYIPLPMQ 0.12
21 RRRYLPLPWQ 0.12
22 RRRYMKLPWL 0.13
23 RRRYIPLPML 0.13
24 RRRYMKLPWM 0.14
25 RRRYIPLPMM 0.14
26 RRRYLPLPWL 0.14
27 RRRYMPLPWQ 0.15
28 RRRYIKLKWQ 0.15
29 RRMYIKLPWQ 0.15
30 RRRYLPLPWM 0.15
31 RRRYMPLPWL 0.16
32 RRRYIKLKWL 0.16
33 RRRIIKLPMQ 0.16
34 RRMYIKLPWL 0.16
35 RRRYIKLRWQ 0.16
36 RRRILKLPWQ 0.16
37 RRRYMPLPWM 0.17
38 RRRYIKLKWM 0.17
39 RRRIIKLPML 0.17
40 RRFYIKLPWQ 0.17
41 RRMYIKLPWM 0.17
42 RRRYIKLRWL 0.17
43 RRRILKLPWL 0.17
44 RRMYIPLPWQ 0.18
45 RRFYIKLPWL 0.18
46 RRRIIKLPMM 0.18
47 RRRYLKLPMQ 0.18
48 RRRYIKLRWM 0.18
49 RRRYIPLKWQ 0.18
50 RRRILKLPWM 0.18
51 RRMYIPLPWL 0.19
52 RRRYIPLRWQ 0.19
53 RRRYIELPWQ 0.19
54 RRRYLKLPML 0.19
55 RRFYIKLPWM 0.19
56 RRRIIPLPMQ 0.19
57 RRRIMKLPWQ 0.19
58 RRMYIPLPWM 0.2
59 RRRYIPLRWL 0.2
60 RRRILPLPWQ 0.2
61 RRRYIELPWL 0.2
62 RRRYLKLPMM 0.2
63 RRRIIPLPML 0.2
64 RRRYMKLPMQ 0.2
65 RRFYIPLPWQ 0.2
66 RRRYIPLKWL 0.2
67 RRRYIPLKWM 0.2
68 RRRIMKLPWL 0.2
69 RRRYLPLPMQ 0.21
70 RRRYIPLRWM 0.21
71 RRRILPLPWL 0.21
72 RRRYIELPWM 0.21
73 RRRIIPLPMM 0.21
74 RRRIMKLPWM 0.21
75 RRRILPLPWM 0.22
76 RRRIIKLKWQ 0.22
77 RRRIMPLPWQ 0.22
78 RRMIIKLPWQ 0.22
79 RRRYMKLPML 0.22
80 RRFYIPLPWL 0.22
81 RRRYLPLPML 0.23
82 RRRYLPLPMM 0.23
83 RRRIIKLKWL 0.23
84 RRRIMPLPWL 0.23
85 RRRYMKLPMM 0.23
86 RRFYIPLPWM 0.23
87 RRMIIKLPWL 0.23
88 RRRIIKLRWQ 0.23
89 RRMYLKLPWQ 0.24
90 RRRYMPLPMQ 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRYLKLPWM

3.47

-8.27

-4.8
2 RRRYMKLPWM

2.91

-7.65

-4.74
3 RRRIIPLPWM

3.68

-8.24

-4.56
4 RRRYLKLPWL

3.55

-7.96

-4.41
5 RRRYLPLPWL

2.98

-7.25

-4.27
6 RRRYIKLPMM

3.39

-7.52

-4.13
7 RRRYLPLPWM

3.03

-7.13

-4.1
8 RRRYIKLPML

3.32

-7.34

-4.02
9 RRRYIPLPWM

4.11

-7.96

-3.85
10 RRRIIKLPWL

3.66

-7.45

-3.79
11 RRRYLKLPWQ

3.63

-7.3

-3.67
12 RRRYIKLPWM

3.29

-6.93

-3.64
13 RRRYIKLPWL

3.07

-6.62

-3.55
14 RRRIIKLPWQ

3.42

-6.97

-3.55
15 RRRYIPLPMM

3.85

-7.37

-3.52
16 RRRYLPLPWQ

2.49

-5.82

-3.33
17 RRRYIPLPML

3.49

-6.8

-3.31
18 RRRIIPLPWL

4.35

-7.39

-3.04
19 RRRYIKLPWQ

3.47

-6.51

-3.04
20 RRRYMPLPWQ

2.83

-5.84

-3.01
21 RRRYIPLPWL

3.81

-6.76

-2.95
22 RRRYMKLPWL

2.95

-5.87

-2.92
23 RRRIIPLPWQ

3.99

-6.91

-2.92
24 RRRYMKLPWQ

2.45

-5.33

-2.88
25 RRRIIKLPWM

3.52

-6.37

-2.85
26 RRRYIKLPMQ

3.97

-6.8

-2.83
27 RRRYIPLPMQ

4.48

-7.17

-2.69
28 RRRYIKLKWQ

3.18

-5.65

-2.47
29 RRMYIKLPWQ

3.81

-5.99

-2.18
30 RRRYIPLPWQ

4.07

-6.21

-2.14

 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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