Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-3.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 4.653 ΔGbinding 2.418
TOTAL
 7.071
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 2.854
Van der Waals -4.629 Backbone clash 0.107
Electrostatics -0.217 Helix dipole 0.000
Solvation Polar 4.941 Water bridges -0.039
Solvation Hyd -6.688 Disulfide 0.000
VdW clashes 3.365 Electrost. Kon -0.331
Entropy sc 0.672 Part.cov.bonds 0.000
Entropy mc

2.491

 ΔGstability

25.663
       

Predicted ligand sequences for model [LSB3_1SSH-3.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).
 
  LSB3_1SSH-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRGWKCWPSW 0.0
2 YRGWKWWPSW 0.01
3 YRGWKCWPPW 0.04
4 YRGWKWWPPW 0.05
5 YRFWKCWPSW 0.05
6 YRFWKWWPSW 0.07
7 YRFWKCWPPW 0.09
8 YRGWRCWPSW 0.1
9 YRGWKCWPVW 0.1
10 YRFWKWWPPW 0.1
11 YRGWKWWPVW 0.11
12 YRGWRWWPSW 0.11
13 YRGWKCWDSW 0.12
14 YRGWKWWDSW 0.13
15 YRGWRCWPPW 0.14
16 YRFWKCWPVW 0.15
17 YRGWKFWPSW 0.15
18 YRGWKCWDPW 0.15
19 YRFWRCWPSW 0.15
20 YRGWRWWPPW 0.15
21 YRGWKCKPSW 0.16
22 YRFWKWWPVW 0.16
23 YRKWKCWPSW 0.16
24 YRKWKWWPSW 0.17
25 YRGWKWWDPW 0.17
26 YRFWRWWPSW 0.17
27 YRFWKCWDSW 0.17
28 YRGWKWKPSW 0.18
29 YRGWKCPPSW 0.18
30 YRFWKWWDSW 0.18
31 YRGWHCWPSW 0.18
32 YRGWKWPPSW 0.19
33 YRGWKFWPPW 0.19
34 YRFWRCWPPW 0.19
35 YRFWRWWPPW 0.2
36 YRGWKCKPPW 0.2
37 YRGWRCWPVW 0.2
38 YRKWKCWPPW 0.2
39 YRGWHWWPSW 0.2
40 YRGWKCWDVW 0.21
41 YRFWKCWDPW 0.21
42 YRGWRWWPVW 0.21
43 YRGWKWKPPW 0.21
44 YRFWKFWPSW 0.21
45 YRKWKWWPPW 0.21
46 YRGWHCWPPW 0.22
47 YRFWKWWDPW 0.22
48 YRFWKCKPSW 0.22
49 YRGWRCWDSW 0.22
50 YRGWKCPPPW 0.22
51 YRGWHWWPPW 0.23
52 YRGWKWPPPW 0.23
53 YRGWKWWDVW 0.23
54 YRGWRWWDSW 0.23
55 YRFWKWKPSW 0.23
56 YRFWKFWPPW 0.24
57 YRFWHCWPSW 0.24
58 YRFWKCPPSW 0.24
59 YRFWHWWPSW 0.25
60 YRFWRCWPVW 0.25
61 YRFWKCKPPW 0.25
62 YRGWRCWDPW 0.25
63 YRGWKFWPVW 0.25
64 YRFWKWPPSW 0.25
65 YRGWRFWPSW 0.25
66 YRGWKCKPVW 0.26
67 YRKWKCWPVW 0.26
68 YRKWRCWPSW 0.26
69 YRFWRWWPVW 0.26
70 YRGWRCKPSW 0.27
71 YRFWHCWPPW 0.27
72 YRGWKFWDSW 0.27
73 YRGWKWKPVW 0.27
74 YRKWKWWPVW 0.27
75 YRFWKCPPPW 0.27
76 YRFWKCWDVW 0.27
77 YRGWRWWDPW 0.27
78 YRFWKWKPPW 0.27
79 YRFWRCWDSW 0.27
80 YRFWRWWDSW 0.28
81 YRKWRWWPSW 0.28
82 YRFWHWWPPW 0.28
83 YRGWKCPPVW 0.28
84 YRGWRCPPSW 0.28
85 YRKWKCWDSW 0.28
86 YRGWKCKDSW 0.28
87 YRGWHCWPVW 0.28
88 YRFWKWWDVW 0.28
89 YRFWKWPPPW 0.28
90 YRGWRWKPSW 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRGWKWWPPW

4.77

-10.36

-5.59
2 YRGWRWWPPW

5.28

-10.01

-4.73
3 YRFWKWWPPW

5.3

-9.91

-4.61
4 YRGWKFWPSW

4.55

-9.15

-4.6
5 YRGWKCPPSW

4.58

-9.17

-4.59
6 YRGWKWWDPW

4.75

-9.11

-4.36
7 YRGWKWKPSW

4.7

-9.02

-4.32
8 YRKWKWWPSW

5.34

-9.27

-3.93
9 YRGWKCWPSW

4.61

-8.1

-3.49
10 YRGWKWWPSW

4.8

-8.25

-3.45
11 YRGWRCWPPW

4.93

-8.3

-3.37
12 YRGWRWWPSW

4.57

-7.94

-3.37
13 YRFWKWWPSW

5.13

-8.03

-2.9
14 YRGWKCWDSW

4.71

-7.48

-2.77
15 YRGWKWWDSW

5.0

-7.66

-2.66
16 YRFWKWWDSW

5.87

-8.41

-2.54
17 YRFWKCWPSW

5.14

-7.6

-2.46
18 YRFWKWWPVW

5.52

-7.82

-2.3
19 YRFWRCWPSW

5.3

-7.6

-2.3
20 YRGWKWWPVW

4.87

-6.56

-1.69
21 YRFWRWWPSW

5.31

-6.83

-1.52
22 YRGWRCWPSW

4.87

-6.34

-1.47
23 YRFWKCWPPW

6.01

-7.16

-1.15
24 YRFWKCWDSW

5.49

-6.43

-0.94
25 YRGWKCWDPW

4.69

-5.6

-0.91
26 YRGWKCWPPW

4.81

-5.26

-0.45
27 YRFWKCWPVW

6.02

-6.45

-0.43
28 YRGWKCKPSW

5.03

-4.58

0.45
29 YRKWKCWPSW

5.52

-4.48

1.04
30 YRGWKCWPVW

5.84

-4.4

1.44

 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