Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-5.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 7.012 ΔGbinding -2.152
TOTAL
 4.860
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 2.904
Van der Waals -5.112 Backbone clash 0.098
Electrostatics -0.198 Helix dipole 0.000
Solvation Polar 4.886 Water bridges -0.039
Solvation Hyd -7.718 Disulfide 0.000
VdW clashes 1.058 Electrost. Kon -0.256
Entropy sc 0.794 Part.cov.bonds 0.000
Entropy mc

2.805

 ΔGstability

28.884
       

Predicted ligand sequences for model [YSC84_1OOT-5.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).
 
  YSC84_1OOT-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWNHYFWDPF 0.0
2 KWNHYYWDPF 0.11
3 KWRHYFWDPF 0.12
4 KWHHYFWDPF 0.13
5 KWNHYFWPPF 0.14
6 KWNHYFRDPF 0.15
7 KWNKYFWDPF 0.16
8 KWNRYFWDPF 0.17
9 KWNHPFWDPF 0.23
10 KWRHYYWDPF 0.23
11 KWHHYYWDPF 0.24
12 KWNHYYWPPF 0.26
13 KWRHYFWPPF 0.26
14 KWNHYFWRPF 0.26
15 KWNHYYRDPF 0.27
16 KWRHYFRDPF 0.27
17 KWHHYFWPPF 0.27
18 KWHHYFRDPF 0.28
19 KWNKYYWDPF 0.28
20 KWRKYFWDPF 0.28
21 KWNRYYWDPF 0.28
22 KWRRYFWDPF 0.29
23 KWHKYFWDPF 0.29
24 KWHRYFWDPF 0.3
25 KWNHYFPDPF 0.3
26 KWNHYFRPPF 0.3
27 KWNKYFWPPF 0.3
28 KWNRYFWPPF 0.31
29 KWNRYFRDPF 0.32
30 KWNKYFRDPF 0.32
31 KWNHPYWDPF 0.34
32 KWRHPFWDPF 0.35
33 KWNHFFWDPF 0.35
34 KWHHPFWDPF 0.36
35 KWNHPFWPPF 0.37
36 KWRHYYWPPF 0.37
37 KWRHYFWRPF 0.38
38 KWNHPFRDPF 0.38
39 KWHHYYWPPF 0.38
40 KWNHYYWRPF 0.38
41 KWNHYFWDPW 0.39
42 KWHHYFWRPF 0.39
43 KWNKPFWDPF 0.39
44 KWRHYYRDPF 0.39
45 KWRKYYWDPF 0.39
46 KWNHYPWDPF 0.4
47 KWHHYYRDPF 0.4
48 KWNRPFWDPF 0.4
49 KWHKYYWDPF 0.4
50 KWRRYYWDPF 0.4
51 KWNHYFWDQF 0.41
52 KWNHYYPDPF 0.41
53 KWNHYFWDWF 0.41
54 KWHRYYWDPF 0.41
55 KWNHYYRPPF 0.41
56 KWRKYFWPPF 0.42
57 KWNKYYWPPF 0.42
58 KWRHYFRPPF 0.42
59 KWRHYFPDPF 0.42
60 KWNHYFRRPF 0.42
61 KWNRYYWPPF 0.42
62 KWNRYFWRPF 0.43
63 KWHHYFPDPF 0.43
64 KWHKYFWPPF 0.43
65 KWRRYFWPPF 0.43
66 KWHHYFRPPF 0.43
67 KWNKYYRDPF 0.43
68 KWNKYFWRPF 0.43
69 KWNRYYRDPF 0.44
70 KWHRYFWPPF 0.44
71 KWNHYFPPPF 0.44
72 KWRKYFRDPF 0.44
73 KWRRYFRDPF 0.44
74 KWHRYFRDPF 0.45
75 KWHKYFRDPF 0.45
76 KWNRYFRPPF 0.46
77 KWNKYFPDPF 0.46
78 KWNKYFRPPF 0.46
79 KWRHPYWDPF 0.46
80 KWNHFYWDPF 0.46
81 KWHHPYWDPF 0.47
82 KWNRYFPDPF 0.47
83 KWRHFFWDPF 0.47
84 KWHHFFWDPF 0.48
85 KWNHPYWPPF 0.48
86 KWNHFFWPPF 0.49
87 KWRHPFWPPF 0.49
88 KWNHPFWRPF 0.49
89 KWHHPFWPPF 0.5
90 KWNHYYWDPW 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWNKYFRDPF

6.1

-10.65

-4.55
2 KWNRYFWPPF

6.01

-10.54

-4.53
3 KWRKYFWDPF

6.68

-11.14

-4.46
4 KWHHYFWPPF

6.4

-10.57

-4.17
5 KWNHPFWDPF

6.34

-10.49

-4.15
6 KWHRYFWDPF

7.01

-11.12

-4.11
7 KWRRYFWDPF

6.44

-10.29

-3.85
8 KWNKYFWDPF

7.12

-10.83

-3.71
9 KWNKYFWPPF

5.73

-9.42

-3.69
10 KWHKYFWDPF

7.05

-10.7

-3.65
11 KWNRYFWDPF

6.92

-10.46

-3.54
12 KWNRYFRDPF

6.86

-10.28

-3.42
13 KWRHYFWDPF

6.78

-10.13

-3.35
14 KWNRYYWDPF

6.09

-9.35

-3.26
15 KWNHYFWRPF

7.1

-10.26

-3.16
16 KWHHYFWDPF

7.39

-10.43

-3.04
17 KWHHYFRDPF

6.78

-9.77

-2.99
18 KWRHYFWPPF

7.22

-10.05

-2.83
19 KWHHYYWDPF

6.54

-9.37

-2.83
20 KWNHYFWPPF

6.63

-9.41

-2.78
21 KWNKYYWDPF

6.52

-9.29

-2.77
22 KWRHYYWDPF

6.72

-9.32

-2.6
23 KWRHYFRDPF

6.71

-9.24

-2.53
24 KWNHYFPDPF

6.88

-9.25

-2.37
25 KWNHYFRPPF

7.17

-9.54

-2.37
26 KWNHYYWPPF

6.47

-8.52

-2.05
27 KWNHYFRDPF

6.77

-8.71

-1.94
28 KWNHYYRDPF

6.85

-8.71

-1.86
29 KWNHYYWDPF

6.83

-8.25

-1.42
30 KWNHYFWDPF

6.16

-6.18

-0.02

 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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