Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-20.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
poly-Ala
A
A
A
A
 A
G
 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 4.286 ΔGbinding -1.907
TOTAL
 2.379
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.088
Van der Waals -4.203 Backbone clash 0.079
Electrostatics 0.169 Helix dipole 0.000
Solvation Polar 4.414 Water bridges 0.007
Solvation Hyd -5.958 Disulfide 0.000
VdW clashes 2.153 Electrost. Kon 0.161
Entropy sc 0.906 Part.cov.bonds 0.000
Entropy mc

2.905

 ΔGstability

8.542
       

Predicted ligand sequences for model [PIN3_1YNZ-20.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).
 
  PIN3_1YNZ-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRRGFNF 0.0
2 RRWRRGFNF 0.0
3 RRWMRGFNF 0.01
4 RRPMRGFNF 0.01
5 RRWRRGRNF 0.01
6 RRPRRGRNF 0.01
7 RRWMRGRNF 0.02
8 RRPMRGRNF 0.02
9 RRFRRGFNF 0.03
10 RRFRRGRNF 0.04
11 RRFMRGFNF 0.04
12 RRFMRGRNF 0.05
13 RRWRFGFNF 0.06
14 RRPRFGFNF 0.06
15 RRPRFGRNF 0.07
16 RRWMFGFNF 0.07
17 RRPMFGFNF 0.07
18 RRWRFGRNF 0.07
19 RRWMFGRNF 0.08
20 RRPMFGRNF 0.08
21 RRFRFGFNF 0.09
22 RRFMFGFNF 0.1
23 RRFRFGRNF 0.1
24 RRPRNGFNF 0.1
25 RRWRNGFNF 0.1
26 RRPRNGRNF 0.11
27 RRFMFGRNF 0.11
28 RRWRNGRNF 0.11
29 RRPMNGFNF 0.11
30 RRWMNGFNF 0.11
31 RRWMNGRNF 0.12
32 RRPMNGRNF 0.12
33 RRFRNGFNF 0.13
34 RRFMNGFNF 0.14
35 RRFRNGRNF 0.14
36 RRFMNGRNF 0.15
37 RRPRRGFNW 0.2
38 RIPRRGFNF 0.2
39 RRWRRGFNW 0.2
40 RIPMRGFNF 0.2
41 RRPMRGFNW 0.2
42 RIWRRGFNF 0.2
43 RIWMRGFNF 0.21
44 RIWRRGRNF 0.21
45 RRPMRGRNW 0.21
46 RRWMRGFNW 0.21
47 RRWRRGRNW 0.21
48 RIPRRGRNF 0.21
49 RRPRRGRNW 0.21
50 RRWMRGRNW 0.22
51 RIPMRGRNF 0.22
52 RIWMRGRNF 0.22
53 RRFMRGFNW 0.23
54 RIFRRGFNF 0.23
55 RRFRRGFNW 0.23
56 RRFRRGRNW 0.24
57 RIFMRGFNF 0.24
58 RRFMRGRNW 0.24
59 RIFRRGRNF 0.24
60 RIFMRGRNF 0.25
61 RRWRFGFNW 0.26
62 RIWRFGFNF 0.26
63 RRPRFGFNW 0.26
64 RIPMFGFNF 0.26
65 RRPMFGFNW 0.26
66 RIPRFGFNF 0.26
67 RRPRFGRNW 0.27
68 RRWMFGFNW 0.27
69 RIWMFGFNF 0.27
70 RIPRFGRNF 0.27
71 RRPMFGRNW 0.27
72 RIWRFGRNF 0.27
73 RRWRFGRNW 0.27
74 RRWMFGRNW 0.28
75 RIWMFGRNF 0.28
76 RIPMFGRNF 0.28
77 RRFMFGFNW 0.29
78 RRFRFGFNW 0.29
79 RIFRFGFNF 0.29
80 RIPMNGFNF 0.3
81 RIFMFGFNF 0.3
82 RRFRFGRNW 0.3
83 RIPRNGFNF 0.3
84 RRPRNGFNW 0.3
85 RIFRFGRNF 0.3
86 RRPMNGFNW 0.3
87 RRWRNGFNW 0.3
88 RIWRNGFNF 0.3
89 RRFMFGRNW 0.3
90 RIWRNGRNF 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRWMNGFNF

2.96

-8.65

-5.69
2 RRFMRGRNF

3.9

-9.41

-5.51
3 RRFMFGFNF

4.39

-9.67

-5.28
4 RRFMRGFNF

3.4

-8.65

-5.25
5 RRPRFGRNF

3.7

-8.6

-4.9
6 RRPMRGRNF

2.85

-7.71

-4.86
7 RRPMNGFNF

3.76

-8.61

-4.85
8 RRPRRGRNF

3.32

-7.98

-4.66
9 RRPRNGFNF

2.88

-7.48

-4.6
10 RRWRNGRNF

2.9

-7.48

-4.58
11 RRWMRGRNF

3.97

-8.5

-4.53
12 RRWRRGFNF

3.89

-8.39

-4.5
13 RRFRRGRNF

3.82

-8.26

-4.44
14 RRPRFGFNF

3.67

-8.07

-4.4
15 RRPMRGFNF

3.26

-7.51

-4.25
16 RRPRNGRNF

2.82

-7.0

-4.18
17 RRWRFGRNF

3.87

-8.03

-4.16
18 RRFRFGFNF

2.9

-7.02

-4.12
19 RRWMRGFNF

3.99

-8.08

-4.09
20 RRWMFGRNF

2.98

-7.07

-4.09
21 RRPRRGFNF

3.71

-7.71

-4.0
22 RRWRNGFNF

4.07

-8.05

-3.98
23 RRPMFGFNF

3.84

-7.71

-3.87
24 RRWRFGFNF

3.65

-7.36

-3.71
25 RRPMFGRNF

2.89

-6.55

-3.66
26 RRFMFGRNF

2.92

-6.57

-3.65
27 RRFRRGFNF

4.19

-7.81

-3.62
28 RRFRFGRNF

4.19

-7.71

-3.52
29 RRWRRGRNF

3.96

-7.11

-3.15
30 RRWMFGFNF

3.75

-5.38

-1.63

 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