Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-26.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
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 1.366 ΔGbinding -1.947
TOTAL
 -0.581
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.701
Van der Waals -3.244 Backbone clash 0.008
Electrostatics 0.173 Helix dipole 0.000
Solvation Polar 3.438 Water bridges -0.012
Solvation Hyd -4.588 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon 0.224
Entropy sc 0.413 Part.cov.bonds 0.000
Entropy mc

2.163

 ΔGstability

5.487
       

Predicted ligand sequences for model [PIN3_1ZX6-26.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_1ZX6-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRRPKMHPY 0.0
2 DRRPRMHPY 0.02
3 DERPKMHPY 0.07
4 DKRPKMHPY 0.07
5 DRRPKMHRY 0.08
6 DKRPRMHPY 0.09
7 DERPRMHPY 0.09
8 DRRPKMFPY 0.1
9 DRRPRMHRY 0.1
10 DRRPRMFPY 0.11
11 DRRPHMHPY 0.14
12 DKRPKMHRY 0.15
13 DERPKMHRY 0.15
14 DKRPKMFPY 0.16
15 DERPKMFPY 0.17
16 DKRPRMHRY 0.17
17 DRRPKMFRY 0.17
18 DERPRMHRY 0.17
19 DKRPRMFPY 0.18
20 DERPRMFPY 0.18
21 DRRPRMFRY 0.19
22 DKRPHMHPY 0.21
23 DERPHMHPY 0.21
24 DRRPHMHRY 0.22
25 DRRPHMFPY 0.23
26 DKRPKMFRY 0.24
27 DRRPKMYPY 0.25
28 DERPKMFRY 0.25
29 DKRPRMFRY 0.26
30 DERPRMFRY 0.27
31 DRRPRMYPY 0.27
32 DKRPHMHRY 0.29
33 DERPHMHRY 0.29
34 DRRPKIHPY 0.29
35 DRRPRIHPY 0.3
36 DKRPHMFPY 0.3
37 DERPHMFPY 0.31
38 DRRPHMFRY 0.31
39 DKRPKMYPY 0.32
40 DERPKMYPY 0.32
41 DKRPRMYPY 0.33
42 DRRPKMYRY 0.33
43 DERPRMYPY 0.34
44 DKRPKIHPY 0.35
45 SRRPKMHPY 0.35
46 DRRPRMYRY 0.35
47 DERPKIHPY 0.36
48 SRRPRMHPY 0.37
49 DRRPKIHRY 0.37
50 DKRPRIHPY 0.37
51 DKRPHMFRY 0.38
52 DRRPKIFPY 0.38
53 DERPRIHPY 0.38
54 DRRPRIHRY 0.39
55 DRRPKMHSY 0.39
56 DERPHMFRY 0.39
57 DRRPHMYPY 0.39
58 DERPKMYRY 0.4
59 DRRPRIFPY 0.4
60 DKRPKMYRY 0.4
61 DRRPRMHSY 0.41
62 DKRPRMYRY 0.41
63 DERPRMYRY 0.42
64 SKRPKMHPY 0.42
65 SERPKMHPY 0.42
66 DKRPKIHRY 0.43
67 RRRPKMHPY 0.43
68 SRRPKMHRY 0.43
69 DRRPHIHPY 0.43
70 SERPRMHPY 0.44
71 DERPKIHRY 0.44
72 SKRPRMHPY 0.44
73 DKRPRIHRY 0.45
74 SRRPKMFPY 0.45
75 DERPKIFPY 0.45
76 SRRPRMHRY 0.45
77 DKRPKIFPY 0.45
78 RRRPRMHPY 0.45
79 DKRPHMYPY 0.46
80 DERPKMHSY 0.46
81 DERPRIHRY 0.46
82 DERPHMYPY 0.46
83 DRRPKIFRY 0.46
84 DKRPKMHSY 0.46
85 DRRPHMYRY 0.47
86 DERPRIFPY 0.47
87 DKRPRIFPY 0.47
88 SRRPRMFPY 0.47
89 DERPRMHSY 0.48
90 DRRPRIFRY 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRRPRMHRY

1.12

-12.48

-11.36
2 DKRPKMHRY

0.82

-11.89

-11.07
3 DRRPHMHRY

1.0

-12.03

-11.03
4 DRRPKMHPY

0.86

-11.87

-11.01
5 DKRPRMHRY

0.85

-11.66

-10.81
6 DRRPHMHPY

0.74

-11.54

-10.8
7 DERPHMHPY

0.84

-11.38

-10.54
8 DERPKMHRY

0.84

-11.28

-10.44
9 DRRPRMHPY

0.74

-10.99

-10.25
10 DKRPRMHPY

0.92

-10.8

-9.88
11 DERPRMHPY

1.81

-11.69

-9.88
12 DKRPKMHPY

0.74

-10.6

-9.86
13 DERPKMFRY

0.62

-10.38

-9.76
14 DERPRMHRY

1.02

-10.77

-9.75
15 DRRPKMFRY

0.58

-10.29

-9.71
16 DKRPHMHPY

0.77

-10.44

-9.67
17 DKRPRMFRY

0.52

-10.15

-9.63
18 DERPKMHPY

0.82

-10.4

-9.58
19 DRRPRMFRY

0.68

-10.2

-9.52
20 DERPRMFPY

1.09

-10.47

-9.38
21 DRRPKMHRY

1.14

-10.52

-9.38
22 DERPRMFRY

0.58

-9.78

-9.2
23 DRRPRMFPY

0.58

-9.77

-9.19
24 DERPKMFPY

0.65

-9.83

-9.18
25 DKRPKMFRY

0.64

-9.38

-8.74
26 DRRPKMYPY

0.63

-9.3

-8.67
27 DKRPRMFPY

0.46

-9.12

-8.66
28 DKRPKMFPY

0.53

-9.1

-8.57
29 DRRPHMFPY

0.68

-9.11

-8.43
30 DRRPKMFPY

0.58

-8.86

-8.28

 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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