Predicted ligand sequences


ADAN-name: 1I8G2.PDB (view again the scoring matrix)

PDB name: [1I8G.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E Q P L p P V T D L
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 0.398 ΔGbinding -1.197
TOTAL
 -0.799
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.375 Torsional clash 0.491
Van der Waals -4.459 Backbone clash 0.585
Electrostatics -0.772 Helix dipole 0.000
Solvation Polar 4.820 Water bridges 0.000
Solvation Hyd -5.627 Disulfide 0.000
VdW clashes 0.017 Electrost. Kon -0.846
Entropy sc 0.866 Part.cov.bonds 0.000
Entropy mc

4.688

 ΔGstability

39.248
       

Predicted ligand sequences for template [1I8G2.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).
 
  1I8G2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SpDWWRRHRF 0.0
2 SpDWWRRHRP 0.02
3 SsDWWRRHRF 0.04
4 SsDWWRRHRP 0.06
5 SpDHWRRHRF 0.08
6 SpDHWRRHRP 0.1
7 SsDHWRRHRF 0.12
8 SDDWWRRHRF 0.13
9 SsDHWRRHRP 0.14
10 SDDWWRRHRP 0.15
11 spDWWRRHRF 0.18
12 spDWWRRHRP 0.2
13 SDDHWRRHRF 0.21
14 ssDWWRRHRF 0.22
15 SDDHWRRHRP 0.23
16 SpDWWRKHRF 0.23
17 ssDWWRRHRP 0.24
18 SpDWWRRHRy 0.24
19 DpDWWRRHRF 0.24
20 SpDWWRMHRF 0.24
21 SpDWWRKHRP 0.25
22 SsDWWRKHRF 0.26
23 SpDWFRRHRF 0.26
24 spDHWRRHRF 0.26
25 DpDWWRRHRP 0.26
26 SpDWWRMHRP 0.26
27 SsDWWRKHRP 0.28
28 spDHWRRHRP 0.28
29 SpDWFRRHRP 0.28
30 DsDWWRRHRF 0.28
31 SsDWWRRHRy 0.28
32 SsDWWRMHRF 0.28
33 SsDWFRRHRF 0.29
34 SsDWWRMHRP 0.29
35 DsDWWRRHRP 0.3
36 SpDHWRKHRF 0.3
37 ssDHWRRHRF 0.3
38 sDDWWRRHRF 0.31
39 SsDWFRRHRP 0.31
40 SpDHWRRHRy 0.32
41 SpDHWRMHRF 0.32
42 SpDHWRKHRP 0.32
43 DpDHWRRHRF 0.32
44 ssDHWRRHRP 0.32
45 sDDWWRRHRP 0.33
46 SsDHWRKHRF 0.34
47 SpDHWRMHRP 0.34
48 SpDHFRRHRF 0.34
49 DpDHWRRHRP 0.34
50 SsDHWRMHRF 0.35
51 SsDHWRRHRy 0.36
52 SsDHWRKHRP 0.36
53 SDDWWRKHRF 0.36
54 SpDHFRRHRP 0.36
55 DsDHWRRHRF 0.36
56 SDDWWRMHRF 0.37
57 DDDWWRRHRF 0.37
58 SsDHFRRHRF 0.37
59 SsDHWRMHRP 0.37
60 SDDWWRRHRy 0.37
61 SDDWWRKHRP 0.38
62 SpDWMRRHRF 0.38
63 DsDHWRRHRP 0.38
64 SDDWWRMHRP 0.39
65 DDDWWRRHRP 0.39
66 SsDHFRRHRP 0.39
67 sDDHWRRHRF 0.39
68 SDDWFRRHRF 0.39
69 SpDWMRRHRP 0.4
70 sDDHWRRHRP 0.41
71 spDWWRKHRF 0.41
72 SDDWFRRHRP 0.41
73 SpDWWRRSRF 0.41
74 SpDWWRRNRF 0.41
75 SsDWMRRHRF 0.42
76 spDWWRMHRF 0.42
77 spDWWRRHRy 0.42
78 spDWWRKHRP 0.43
79 SpDFWRRHRF 0.43
80 SpDWWRRNRP 0.43
81 SpDWWRRSRP 0.43
82 SDDHWRKHRF 0.44
83 SsDWMRRHRP 0.44
84 spDWWRMHRP 0.44
85 spDWFRRHRF 0.44
86 ssDWWRKHRF 0.44
87 DDDHWRRHRF 0.45
88 SDDHWRMHRF 0.45
89 SpDFWRRHRP 0.45
90 SsDWWRRSRF 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SsDWWRRHRF

0.57

-7.54

-6.97
2 DsDWWRRHRF

0.77

-7.37

-6.6
3 ssDWWRRHRF

0.71

-7.17

-6.46
4 SsDWWRKHRF

0.54

-6.66

-6.12
5 SpDWFRRHRF

0.48

-6.4

-5.92
6 SpDWWRRHRP

0.63

-6.51

-5.88
7 SpDWWRRHRy

0.71

-6.55

-5.84
8 ssDWWRRHRP

0.67

-6.38

-5.71
9 spDWWRRHRF

0.52

-6.07

-5.55
10 SsDHWRRHRF

0.45

-5.95

-5.5
11 DpDWWRRHRF

0.59

-6.01

-5.42
12 spDWWRRHRP

0.49

-5.72

-5.23
13 SpDWWRKHRP

0.61

-5.72

-5.11
14 SDDHWRRHRF

0.37

-5.34

-4.97
15 DpDWWRRHRP

0.53

-5.44

-4.91
16 spDHWRRHRF

0.4

-5.07

-4.67
17 SDDWWRRHRF

0.67

-5.33

-4.66
18 SsDWWRKHRP

0.66

-5.27

-4.61
19 SpDHWRRHRF

0.63

-5.2

-4.57
20 SDDWWRRHRP

0.54

-5.05

-4.51
21 SpDWWRMHRF

0.53

-4.98

-4.45
22 SsDWWRRHRP

0.64

-4.92

-4.28
23 SpDWWRKHRF

0.64

-4.64

-4.0
24 SpDWWRMHRP

0.76

-4.61

-3.85
25 SpDWFRRHRP

0.68

-4.32

-3.64
26 SpDWWRRHRF

0.48

-4.09

-3.61
27 spDHWRRHRP

0.6

-4.1

-3.5
28 SsDHWRRHRP

0.52

-3.7

-3.18
29 SDDHWRRHRP

0.3

-3.47

-3.17
30 SpDHWRRHRP

0.47

-2.61

-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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER