Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.978 ΔGbinding -2.426
TOTAL
 -0.448
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.753
Van der Waals -3.916 Backbone clash 0.062
Electrostatics -0.067 Helix dipole 0.000
Solvation Polar 4.687 Water bridges -0.087
Solvation Hyd -5.369 Disulfide 0.000
VdW clashes 0.398 Electrost. Kon -0.095
Entropy sc 0.576 Part.cov.bonds 0.000
Entropy mc

3.743

 ΔGstability

73.239
       

Predicted ligand sequences for model [SDC25_1OV32-8.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_1OV32-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMRPEIEF 0.0
2 DMRPEIEF 0.03
3 EMRPEIDF 0.04
4 DMRPEIDF 0.07
5 EMRPEPEF 0.1
6 DMRPEPEF 0.12
7 EMRPEIEM 0.13
8 EMRPEPDF 0.14
9 DMRPEIEM 0.15
10 DMRPEPDF 0.16
11 EMRPEIDM 0.17
12 FMRPEIEF 0.18
13 DMRPEIDM 0.2
14 FMRPEIDF 0.22
15 EMRPEPEM 0.22
16 EMRPEFEF 0.25
17 DMRPEPEM 0.25
18 EMREEIEF 0.27
19 FMRPEPEF 0.27
20 EMRPEPDM 0.27
21 DMRPEFEF 0.28
22 EMRWEIEF 0.28
23 DMRPEPDM 0.29
24 EMRPEFDF 0.3
25 DMREEIEF 0.3
26 FMRPEIEM 0.3
27 DMRWEIEF 0.31
28 EMREEIDF 0.32
29 FMRPEPDF 0.32
30 DMRPEFDF 0.32
31 EMRWEIDF 0.33
32 DMREEIDF 0.34
33 EMRPLIEF 0.35
34 DMRWEIDF 0.35
35 FMRPEIDM 0.35
36 EMREEPEF 0.37
37 EMRPEFEM 0.38
38 DMRPLIEF 0.38
39 EMRWEPEF 0.38
40 DMREEPEF 0.39
41 EMREEIEM 0.4
42 EMRPLIDF 0.4
43 FMRPEPEM 0.4
44 DMRWEPEF 0.41
45 EMREEPDF 0.41
46 EMRWEIEM 0.41
47 DMRPEFEM 0.41
48 EMRPEFDM 0.42
49 DMREEIEM 0.42
50 DMRPLIDF 0.42
51 EMRWEPDF 0.42
52 EMRPEIHF 0.43
53 FMRPEFEF 0.43
54 EMREEIDM 0.44
55 DMRWEIEM 0.44
56 FMRPEPDM 0.44
57 DMREEPDF 0.44
58 DMRPEFDM 0.45
59 DMRWEPDF 0.45
60 EMRWEIDM 0.45
61 FMREEIEF 0.45
62 EMRPLPEF 0.45
63 FMRWEIEF 0.46
64 DMRPEIHF 0.46
65 FMRPEFDF 0.47
66 DMRPLPEF 0.47
67 DMREEIDM 0.47
68 EMRPLIEM 0.48
69 DMRWEIDM 0.48
70 FMREEIDF 0.49
71 EMREEPEM 0.49
72 EMRPLPDF 0.49
73 FMRWEIDF 0.51
74 DMRPLIEM 0.51
75 EMRWEPEM 0.51
76 DMREEPEM 0.52
77 EMRPLIDM 0.52
78 DMRPLPDF 0.52
79 EMREEFEF 0.52
80 DMRWEPEM 0.53
81 EMRPEPHF 0.53
82 FMRPLIEF 0.53
83 EMRWEFEF 0.54
84 FMREEPEF 0.54
85 EMREEPDM 0.54
86 DMRPLIDM 0.55
87 EMRWEPDM 0.55
88 DMREEFEF 0.55
89 DMRPEPHF 0.55
90 DMRWEFEF 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DMRPEPEF

3.89

-9.31

-5.42
2 DMRPEIEF

3.93

-9.31

-5.38
3 DMRPEIDF

4.13

-8.69

-4.56
4 EMRPEPDM

4.44

-8.98

-4.54
5 DMRPEPDF

3.38

-7.88

-4.5
6 DMRPEPEM

3.96

-8.43

-4.47
7 EMRPEPEM

3.92

-8.27

-4.35
8 FMRPEPEF

2.97

-7.27

-4.3
9 FMRPEPDF

3.83

-7.92

-4.09
10 EMRPEFDF

3.91

-7.86

-3.95
11 EMRPEPDF

4.09

-8.04

-3.95
12 FMRPEIEM

4.56

-8.4

-3.84
13 DMRPEPDM

4.52

-8.3

-3.78
14 EMRPEIEF

3.98

-7.75

-3.77
15 EMRPEIDM

4.49

-8.21

-3.72
16 DMRPEFDF

3.36

-7.06

-3.7
17 DMRPEIDM

4.64

-8.3

-3.66
18 EMREEIDF

3.84

-7.48

-3.64
19 EMRPEIEM

4.73

-8.34

-3.61
20 EMRPEIDF

3.56

-7.08

-3.52
21 EMREEIEF

4.15

-7.65

-3.5
22 DMRPEIEM

4.72

-8.19

-3.47
23 DMRWEIEF

3.56

-6.99

-3.43
24 EMRWEIEF

3.04

-6.33

-3.29
25 EMRPEPEF

3.73

-6.96

-3.23
26 DMRPEFEF

3.99

-7.1

-3.11
27 DMREEIEF

4.19

-7.18

-2.99
28 FMRPEIEF

3.39

-6.29

-2.9
29 FMRPEIDF

3.47

-6.16

-2.69
30 EMRPEFEF

4.21

-6.83

-2.62

 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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