Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-2.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 4.590 ΔGbinding -0.941
TOTAL
 3.649
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.735
Van der Waals -4.663 Backbone clash 0.039
Electrostatics -0.166 Helix dipole 0.000
Solvation Polar 4.603 Water bridges -0.020
Solvation Hyd -7.083 Disulfide 0.000
VdW clashes 3.382 Electrost. Kon -0.210
Entropy sc 0.824 Part.cov.bonds 0.000
Entropy mc

1.931

 ΔGstability

26.531
       

Predicted ligand sequences for model [YSC84_1OOT-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRPHWKKH 0.0
2 FRPRPHWDKH 0.03
3 IRPRPHWKKH 0.05
4 FRKRPHWKKH 0.06
5 FRRRPHWKKH 0.06
6 HRPRPHWKKH 0.06
7 IRPRPHWDKH 0.08
8 FRKRPHWDKH 0.09
9 FRRRPHWDKH 0.09
10 HRPRPHWDKH 0.09
11 FRPRPHWPKH 0.1
12 FRPRRHWKKH 0.11
13 IRRRPHWKKH 0.11
14 IRKRPHWKKH 0.11
15 HRRRPHWKKH 0.12
16 HRKRPHWKKH 0.12
17 IRKRPHWDKH 0.14
18 FRPRRHWDKH 0.14
19 IRRRPHWDKH 0.14
20 IRPRPHWPKH 0.15
21 HRRRPHWDKH 0.15
22 FRKRPHWPKH 0.15
23 HRKRPHWDKH 0.15
24 FRPRMHWKKH 0.16
25 FRRRPHWPKH 0.16
26 IRPRRHWKKH 0.16
27 FRKRRHWKKH 0.16
28 HRPRPHWPKH 0.16
29 FRPRPHWKKW 0.16
30 FRRRRHWKKH 0.17
31 FRPRPHWKKR 0.17
32 HRPRRHWKKH 0.17
33 FRPKPHWKKH 0.19
34 FRPRPHWDKW 0.19
35 FRPRMHWDKH 0.19
36 IRPRRHWDKH 0.19
37 FRKRRHWDKH 0.19
38 FRPIPHWKKH 0.2
39 FRRRRHWDKH 0.2
40 FRPRPHWDKR 0.2
41 HRPRRHWDKH 0.2
42 IRKRPHWPKH 0.2
43 IRRRRHWKKH 0.21
44 IRRRPHWPKH 0.21
45 IRPRMHWKKH 0.21
46 IRKRRHWKKH 0.21
47 FRPRRHWPKH 0.21
48 IRPRPHWKKW 0.21
49 HRKRPHWPKH 0.21
50 FRKRPHWKKR 0.22
51 FRKRPHWKKW 0.22
52 HRKRRHWKKH 0.22
53 FRRRPHWKKW 0.22
54 HRRRPHWPKH 0.22
55 FRKRMHWKKH 0.22
56 FRPKPHWDKH 0.22
57 IRPRPHWKKR 0.22
58 HRPRMHWKKH 0.22
59 HRPRPHWKKW 0.22
60 FRRRMHWKKH 0.22
61 FRRRPHWKKR 0.23
62 FRPIPHWDKH 0.23
63 HRRRRHWKKH 0.23
64 HRPRPHWKKR 0.23
65 IRRRRHWDKH 0.24
66 IRKRRHWDKH 0.24
67 IRPRMHWDKH 0.24
68 IRPKPHWKKH 0.24
69 IRPRPHWDKR 0.24
70 IRPRPHWDKW 0.24
71 FRKKPHWKKH 0.25
72 IRPRRHWPKH 0.25
73 FRKRPHWDKR 0.25
74 FRKRPHWDKW 0.25
75 HRPRMHWDKH 0.25
76 HRKRRHWDKH 0.25
77 FRRRPHWDKW 0.25
78 FRRRMHWDKH 0.25
79 HRPRPHWDKW 0.25
80 FRRKPHWKKH 0.25
81 IRPIPHWKKH 0.25
82 FRKRMHWDKH 0.25
83 HRPKPHWKKH 0.25
84 FRPRPHWPKW 0.26
85 FRPRPHWPKR 0.26
86 FRRRRHWPKH 0.26
87 FRKRRHWPKH 0.26
88 HRPIPHWKKH 0.26
89 FRRRPHWDKR 0.26
90 HRRRRHWDKH 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IRPRPHWPKH

3.69

-8.45

-4.76
2 FRKRPHWPKH

4.12

-8.83

-4.71
3 FRRRRHWKKH

4.2

-8.9

-4.7
4 FRPRPHWKKH

4.15

-8.75

-4.6
5 HRPRPHWPKH

4.34

-8.93

-4.59
6 FRPRRHWKKH

4.26

-8.83

-4.57
7 IRRRPHWDKH

4.28

-8.68

-4.4
8 HRRRPHWKKH

4.27

-8.5

-4.23
9 IRRRPHWKKH

4.27

-8.5

-4.23
10 FRRRPHWKKH

4.21

-8.44

-4.23
11 FRRRPHWDKH

4.22

-8.43

-4.21
12 HRKRPHWDKH

4.16

-8.31

-4.15
13 FRRRPHWPKH

4.24

-8.35

-4.11
14 HRPRPHWDKH

4.66

-8.72

-4.06
15 FRPRPHWDKH

4.42

-8.47

-4.05
16 HRKRPHWKKH

4.29

-8.27

-3.98
17 FRKRPHWDKH

4.24

-8.07

-3.83
18 FRPRPHWKKW

4.25

-8.07

-3.82
19 IRKRPHWKKH

4.3

-8.11

-3.81
20 HRPRPHWKKH

4.27

-7.92

-3.65
21 FRPRPHWPKH

4.86

-8.51

-3.65
22 HRRRPHWDKH

4.43

-8.03

-3.6
23 IRPRPHWKKH

5.0

-8.6

-3.6
24 FRPRMHWKKH

4.6

-8.14

-3.54
25 FRKRPHWKKH

4.78

-8.25

-3.47
26 IRKRPHWDKH

4.63

-8.04

-3.41
27 FRPRRHWDKH

4.69

-7.83

-3.14
28 IRPRPHWDKH

4.77

-7.66

-2.89
29 IRPRRHWKKH

4.01

-6.64

-2.63
30 FRKRRHWKKH

6.63

-8.61

-1.98

 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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