Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-14.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 7.073 ΔGbinding 0.243
TOTAL
 7.316
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.195
Van der Waals -3.606 Backbone clash 0.159
Electrostatics -0.076 Helix dipole 0.000
Solvation Polar 4.349 Water bridges 0.000
Solvation Hyd -5.292 Disulfide 0.000
VdW clashes 0.718 Electrost. Kon -0.114
Entropy sc 0.587 Part.cov.bonds 0.000
Entropy mc

4.755

 ΔGstability

110.097
       

Predicted ligand sequences for model [SDC25_1JO8-14.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).
 
  SDC25_1JO8-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 VPPEIEEHD 0.0
2 VPPIIEEHD 0.03
3 VPFEIEEHD 0.06
4 VPFIIEEHD 0.08
5 VPYEIEEHD 0.11
6 VPPEIWEHD 0.11
7 VPPIIWEHD 0.13
8 VPPEVEEHD 0.14
9 VPYIIEEHD 0.14
10 KPPEIEEHD 0.15
11 VPPIVEEHD 0.16
12 VPFEIWEHD 0.16
13 KPPIIEEHD 0.17
14 VPFIIWEHD 0.19
15 VPFEVEEHD 0.19
16 KPFEIEEHD 0.21
17 VPFIVEEHD 0.22
18 VPPMIEEHD 0.22
19 VPYEIWEHD 0.22
20 VPPEIFEHD 0.23
21 KPFIIEEHD 0.23
22 VDPEIEEHD 0.23
23 VPPEVWEHD 0.24
24 VPYIIWEHD 0.24
25 VPYEVEEHD 0.25
26 KPPEIWEHD 0.26
27 VPPIIFEHD 0.26
28 KPYEIEEHD 0.26
29 VDPIIEEHD 0.26
30 VPPIVWEHD 0.27
31 VPYIVEEHD 0.27
32 KPPIIWEHD 0.28
33 VPFMIEEHD 0.28
34 KPPEVEEHD 0.29
35 KPYIIEEHD 0.29
36 VDFEIEEHD 0.29
37 VPFEIFEHD 0.29
38 VPPEIEWHD 0.3
39 VPFEVWEHD 0.3
40 VPPEIEDHD 0.3
41 KPPIVEEHD 0.31
42 KPFEIWEHD 0.31
43 VDFIIEEHD 0.31
44 VPFIIFEHD 0.32
45 VPPMIWEHD 0.33
46 VPPIIEDHD 0.33
47 VPPIIEWHD 0.33
48 VPFIVWEHD 0.33
49 VPYMIEEHD 0.33
50 VDPEIWEHD 0.34
51 KPFEVEEHD 0.34
52 KPFIIWEHD 0.34
53 VDYEIEEHD 0.34
54 VPYEVWEHD 0.35
55 VPYEIFEHD 0.35
56 VPPMVEEHD 0.36
57 VDPIIWEHD 0.36
58 VPFEIEDHD 0.36
59 VPFEIEWHD 0.36
60 KPFIVEEHD 0.37
61 VDPEVEEHD 0.37
62 KPPMIEEHD 0.37
63 VPPEVFEHD 0.37
64 KPYEIWEHD 0.37
65 VDYIIEEHD 0.37
66 VPYIIFEHD 0.37
67 VPYIVWEHD 0.38
68 KPPEIFEHD 0.38
69 KDPEIEEHD 0.38
70 VPFIIEWHD 0.39
71 VPFMIWEHD 0.39
72 VDFEIWEHD 0.39
73 KPYIIWEHD 0.39
74 VDPIVEEHD 0.39
75 VPPELEEHD 0.39
76 VPFIIEDHD 0.39
77 KPPEVWEHD 0.39
78 KPYEVEEHD 0.4
79 VPPIVFEHD 0.4
80 KPPIIFEHD 0.41
81 KDPIIEEHD 0.41
82 VPPEIWWHD 0.41
83 VPPILEEHD 0.41
84 VPPEIWDHD 0.41
85 VPYEIEWHD 0.42
86 VDFIIWEHD 0.42
87 VPYEIEDHD 0.42
88 KPYIVEEHD 0.42
89 VDFEVEEHD 0.42
90 KPPIVWEHD 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 VPPIIEEHD

2.6

-7.19

-4.59
2 VPFIIEEHD

3.6

-8.18

-4.58
3 KPFIIEEHD

2.77

-7.15

-4.38
4 VPPIVEEHD

2.7

-6.92

-4.22
5 KPPIIEEHD

2.75

-6.75

-4.0
6 VPYIIWEHD

3.07

-6.96

-3.89
7 KPPEIEEHD

2.72

-6.57

-3.85
8 VPFIVEEHD

3.35

-7.16

-3.81
9 KPFEIEEHD

3.42

-7.15

-3.73
10 VPPEVEEHD

2.64

-6.21

-3.57
11 VPPEIFEHD

2.53

-6.07

-3.54
12 VPPEIEEHD

2.72

-6.23

-3.51
13 KPYEIEEHD

2.84

-6.33

-3.49
14 VPPMIEEHD

2.48

-5.96

-3.48
15 VPYIIEEHD

3.37

-6.77

-3.4
16 VPPIIFEHD

3.82

-7.09

-3.27
17 VPFIIWEHD

3.83

-7.06

-3.23
18 VDPIIEEHD

2.88

-6.07

-3.19
19 VPPIIWEHD

2.59

-5.61

-3.02
20 VPFEVEEHD

3.36

-6.37

-3.01
21 VPFEIEEHD

3.45

-6.44

-2.99
22 VPPEVWEHD

3.09

-6.04

-2.95
23 VPPIVWEHD

3.05

-5.93

-2.88
24 VPPEIWEHD

2.76

-5.32

-2.56
25 VPYEIEEHD

3.44

-6.0

-2.56
26 KPPEIWEHD

2.84

-4.95

-2.11
27 VPYEVEEHD

3.75

-5.62

-1.87
28 VPFEIWEHD

3.43

-5.18

-1.75
29 VDPEIEEHD

3.52

-5.12

-1.6
30 VPYEIWEHD

3.38

-4.77

-1.39

 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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