Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-29.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 4.889 ΔGbinding -1.710
TOTAL
 3.179
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.378
Van der Waals -3.437 Backbone clash 0.000
Electrostatics 0.161 Helix dipole 0.000
Solvation Polar 3.309 Water bridges 0.000
Solvation Hyd -4.842 Disulfide 0.000
VdW clashes 0.845 Electrost. Kon 0.178
Entropy sc 0.382 Part.cov.bonds 0.000
Entropy mc

2.591

 ΔGstability

23.956
       

Predicted ligand sequences for model [HSE1_1GCQ-29.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).
 
  HSE1_1GCQ-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DLPPRHKRMK 0.0
2 HLPPRHKRMK 0.07
3 DLPPRHRRMK 0.1
4 DLPPRHPRMK 0.12
5 DLPFRHKRMK 0.14
6 DLPPRHKRMH 0.14
7 DLPWRHKRMK 0.15
8 DLPPRHKRMR 0.17
9 HLPPRHRRMK 0.18
10 HLPPRHPRMK 0.19
11 HLPFRHKRMK 0.21
12 HLPPRHKRMH 0.21
13 HLPWRHKRMK 0.22
14 FLPPRHKRMK 0.23
15 HLPPRHKRMR 0.24
16 DLPPRHRRMH 0.24
17 DLPFRHRRMK 0.24
18 DLPPRHPRMH 0.25
19 DLPWRHRRMK 0.25
20 DLRPRHKRMK 0.26
21 DLPFRHPRMK 0.26
22 DLPPRHRRMR 0.27
23 DLPFRHKRMH 0.27
24 DLPWRHPRMK 0.27
25 DLPWRHKRMH 0.28
26 DLPPRHPRMR 0.29
27 DLPFRHKRMR 0.31
28 DLPWRHKRMR 0.31
29 DLPPRPKRMK 0.31
30 HLPPRHRRMH 0.31
31 HLPFRHRRMK 0.32
32 DLKPRHKRMK 0.32
33 HLPWRHRRMK 0.32
34 HLPPRHPRMH 0.33
35 HLPFRHPRMK 0.33
36 HLRPRHKRMK 0.33
37 FLPPRHRRMK 0.33
38 HLPWRHPRMK 0.34
39 HLPPRHRRMR 0.34
40 HLPFRHKRMH 0.35
41 HLPWRHKRMH 0.35
42 FLPPRHPRMK 0.35
43 HLPPRHPRMR 0.36
44 DLRPRHRRMK 0.36
45 FLPPRHKRMH 0.36
46 FLPFRHKRMK 0.37
47 HLPFRHKRMR 0.38
48 FLPWRHKRMK 0.38
49 DLPFRHRRMH 0.38
50 DLRPRHPRMK 0.38
51 HLPPRPKRMK 0.38
52 DLRPRHKRMH 0.39
53 HLPWRHKRMR 0.39
54 DLPFRHPRMH 0.39
55 HLKPRHKRMK 0.39
56 DLPWRHRRMH 0.39
57 DLRWRHKRMK 0.4
58 DLRFRHKRMK 0.4
59 DLPWRHPRMH 0.4
60 FLPPRHKRMR 0.4
61 DLPPRPRRMK 0.41
62 DLPFRHRRMR 0.41
63 DLRPRHKRMR 0.42
64 DLPPRPPRMK 0.42
65 DLKPRHRRMK 0.42
66 DLPWRHRRMR 0.42
67 DLPFRHPRMR 0.43
68 DLPWRHPRMR 0.43
69 HLRPRHRRMK 0.43
70 DLPPRPKRMH 0.44
71 DLKPRHPRMK 0.44
72 HLRPRHPRMK 0.45
73 HLPFRHRRMH 0.45
74 DLPFRPKRMK 0.45
75 DLKPRHKRMH 0.45
76 DLPWRPKRMK 0.45
77 HLPFRHPRMH 0.46
78 HLRPRHKRMH 0.46
79 DLKFRHKRMK 0.46
80 DLKWRHKRMK 0.46
81 HLPWRHRRMH 0.46
82 HLPWRHPRMH 0.47
83 FLPPRHRRMH 0.47
84 FLPFRHRRMK 0.47
85 DLPPRPKRMR 0.47
86 HLRFRHKRMK 0.47
87 HLRWRHKRMK 0.47
88 HLPFRHRRMR 0.48
89 FLRPRHKRMK 0.48
90 HLPPRPRRMK 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DLPWRHKRMH

4.49

-16.34

-11.85
2 DLPPRHKRMR

4.73

-16.32

-11.59
3 DLPPRHPRMK

4.37

-15.92

-11.55
4 HLPPRHKRMK

4.57

-15.99

-11.42
5 HLPPRHKRMR

4.66

-16.02

-11.36
6 DLPWRHPRMK

4.68

-16.02

-11.34
7 DLPPRHPRMR

4.25

-15.43

-11.18
8 DLPPRPKRMK

4.34

-15.49

-11.15
9 HLPPRHRRMH

4.11

-15.17

-11.06
10 DLPFRHPRMK

4.29

-15.35

-11.06
11 HLPPRHKRMH

4.73

-15.69

-10.96
12 DLPWRHRRMK

4.48

-15.43

-10.95
13 FLPPRHKRMK

4.21

-15.11

-10.9
14 DLPFRHKRMK

4.49

-15.38

-10.89
15 HLPPRHPRMK

4.33

-15.16

-10.83
16 DLPPRHRRMH

4.51

-15.34

-10.83
17 DLPWRHKRMK

4.27

-15.08

-10.81
18 DLPPRHPRMH

5.53

-16.33

-10.8
19 DLPWRHKRMR

4.4

-15.17

-10.77
20 DLPPRHKRMK

4.73

-15.49

-10.76
21 DLPFRHKRMR

5.18

-15.9

-10.72
22 DLPFRHRRMK

4.72

-15.35

-10.63
23 DLPFRHKRMH

3.9

-14.53

-10.63
24 HLPPRHRRMK

4.47

-14.92

-10.45
25 HLPFRHKRMK

4.65

-15.09

-10.44
26 DLPPRHKRMH

4.25

-14.67

-10.42
27 DLPPRHRRMK

4.49

-14.89

-10.4
28 DLPPRHRRMR

5.25

-15.55

-10.3
29 HLPWRHKRMK

4.57

-14.78

-10.21
30 DLRPRHKRMK

5.26

-15.44

-10.18

 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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