Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-14.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 4.460 ΔGbinding 1.389
TOTAL
 5.849
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.321
Van der Waals -4.908 Backbone clash 0.175
Electrostatics -0.236 Helix dipole 0.000
Solvation Polar 6.583 Water bridges -0.035
Solvation Hyd -6.814 Disulfide 0.000
VdW clashes 5.112 Electrost. Kon -0.224
Entropy sc 0.753 Part.cov.bonds 0.000
Entropy mc

3.889

 ΔGstability

77.597
       

Predicted ligand sequences for model [SDC25_1OV32-14.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_1OV32-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPFDIEENV 0.0
2 IPYDIEENV 0.08
3 IPFDIEDNV 0.09
4 IPMDIEENV 0.09
5 IPFDIEWNV 0.1
6 IPFDIEEMV 0.11
7 IPFDIEELV 0.16
8 IPFDIEENK 0.16
9 IPYDIEDNV 0.17
10 IPYDIEWNV 0.17
11 IPYDIEEMV 0.19
12 IPMDIEWNV 0.19
13 IPMDIEDNV 0.19
14 IPMDIEEMV 0.2
15 IPFDIEDMV 0.2
16 IPFDIEWMV 0.2
17 IPFDIQENV 0.2
18 IPFWIEENV 0.22
19 IPFDDEENV 0.23
20 IPYDIEELV 0.24
21 IPYDIEENK 0.24
22 IPFDIEDNK 0.25
23 IPMDIEELV 0.26
24 IPMDIEENK 0.26
25 IPFDIEDLV 0.26
26 IPFDIEWNK 0.26
27 IPFDIEWLV 0.26
28 IPFDIEEMK 0.27
29 IPYDIEDMV 0.28
30 IPYDIEWMV 0.28
31 IPYDIQENV 0.28
32 IPMDIEDMV 0.29
33 IPYWIEENV 0.3
34 IPFDIQWNV 0.3
35 IPMDIQENV 0.3
36 IPFDIQDNV 0.3
37 IPMDIEWMV 0.3
38 IPYDDEENV 0.31
39 IPFDIQEMV 0.31
40 IPFDDEWNV 0.32
41 IPMWIEENV 0.32
42 IPFDDEDNV 0.32
43 IPFDIEELK 0.32
44 IPFWIEDNV 0.32
45 IPMDDEENV 0.32
46 IPFWIEWNV 0.32
47 IPYDIEDNK 0.33
48 IPYDIEDLV 0.33
49 IPFWIEEMV 0.33
50 IPYDIEWNK 0.33
51 IPFDDEEMV 0.34
52 IPYDIEWLV 0.34
53 IPFDIPENV 0.35
54 IPYDIEEMK 0.35
55 IPMDIEWNK 0.35
56 IPMDIEDNK 0.35
57 IPMDIEWLV 0.35
58 IPMDIEDLV 0.35
59 IPMDIEEMK 0.36
60 IPFDIEDMK 0.36
61 IPFDIEWMK 0.36
62 IPFDIQENK 0.36
63 IPFDIEENL 0.37
64 IPFDIQELV 0.37
65 IPYDIQDNV 0.37
66 IPFDVEENV 0.38
67 IPYDIQWNV 0.38
68 IPFDDEELV 0.39
69 IPFWIEENK 0.39
70 IPYDIQEMV 0.39
71 IPFWIEELV 0.39
72 IPMDIQWNV 0.39
73 IPMDIQDNV 0.39
74 IPFDDEENK 0.39
75 IPYDDEWNV 0.4
76 IPMDIQEMV 0.4
77 IPYDIEELK 0.4
78 IPFDIQDMV 0.4
79 IPYWIEDNV 0.4
80 IPYDDEDNV 0.4
81 IPYWIEWNV 0.4
82 IPMDDEDNV 0.41
83 IPMWIEDNV 0.41
84 IPYWIEEMV 0.41
85 IPFDIQWMV 0.41
86 IPMWIEWNV 0.41
87 IPYDDEEMV 0.41
88 IPMDDEWNV 0.42
89 IPMDIEELK 0.42
90 IPMWIEEMV 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IPYDIEDMV

4.01

-5.4

-1.39
2 IPFDIEDLV

4.37

-5.5

-1.13
3 IPFDDEENV

4.06

-5.17

-1.11
4 IPYDIEDNV

4.56

-5.61

-1.05
5 IPMDIEELV

4.47

-5.36

-0.89
6 IPFDIEWNV

4.5

-5.01

-0.51
7 IPFDIEEMK

3.78

-4.27

-0.49
8 IPMDIEDNV

4.08

-4.55

-0.47
9 IPYDIEEMV

5.19

-5.62

-0.43
10 IPFDIEENK

5.14

-5.36

-0.22
11 IPYDIEENK

5.25

-5.45

-0.2
12 IPYDIEENV

4.82

-4.86

-0.04
13 IPMDIEEMV

4.24

-4.03

0.21
14 IPFDIEENV

5.11

-4.85

0.26
15 IPFDIEELV

4.88

-4.6

0.28
16 IPYDIEWNV

4.64

-4.26

0.38
17 IPFDIEDNV

4.79

-4.38

0.41
18 IPYDIEELV

4.77

-4.34

0.43
19 IPYDIEWMV

4.71

-4.13

0.58
20 IPMDIEENV

4.6

-4.02

0.58
21 IPFDIEWLV

4.64

-4.02

0.62
22 IPFDIEDNK

5.72

-5.09

0.63
23 IPMDIEENK

4.5

-3.71

0.79
24 IPFDIEDMV

3.56

-2.75

0.81
25 IPFDIEWMV

5.15

-4.31

0.84
26 IPMDIEWNV

4.33

-3.31

1.02
27 IPFDIEEMV

4.53

-3.43

1.1
28 IPFDIEWNK

4.51

-3.29

1.22
29 IPFDIQENV

5.44

-3.64

1.8
30 IPFWIEENV

5.95

-4.03

1.92

 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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