Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-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 6.577 ΔGbinding -1.664
TOTAL
 4.913
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.531
Van der Waals -3.446 Backbone clash 0.024
Electrostatics 0.107 Helix dipole 0.000
Solvation Polar 3.382 Water bridges 0.050
Solvation Hyd -4.849 Disulfide 0.000
VdW clashes 0.808 Electrost. Kon 0.100
Entropy sc 0.419 Part.cov.bonds 0.000
Entropy mc

2.508

 ΔGstability

32.475
       

Predicted ligand sequences for model [HSE1_1SEM-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_1SEM-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRFPRPKKMK 0.0
2 DRFPRPKKMK 0.04
3 HRFPRPRKMK 0.09
4 HRFPRPPKMK 0.11
5 DRFPRPRKMK 0.12
6 DRFPRPPKMK 0.14
7 HRFPRPKKMH 0.14
8 HRFFRPKKMK 0.16
9 HRFMRPKKMK 0.16
10 DRFPRPKKMH 0.17
11 FRFPRPKKMK 0.18
12 HRFPRPKKMR 0.19
13 DRFMRPKKMK 0.2
14 DRFFRPKKMK 0.2
15 HRFPRPRKMH 0.22
16 DRFPRPKKMR 0.22
17 HRFPRPPKMH 0.24
18 HRFFRPRKMK 0.25
19 HRFMRPRKMK 0.25
20 DRFPRPRKMH 0.26
21 HRFPRIKKMK 0.26
22 HRFFRPPKMK 0.27
23 FRFPRPRKMK 0.27
24 HRFMRPPKMK 0.27
25 FRFPRPPKMK 0.28
26 DRFPRPPKMH 0.28
27 HRFPRPRKMR 0.28
28 DRFMRPRKMK 0.28
29 HRFMRPKKMH 0.29
30 HRFPRPPKMR 0.29
31 DRFPRIKKMK 0.29
32 DRFFRPRKMK 0.29
33 DRFMRPPKMK 0.3
34 HRFFRPKKMH 0.3
35 FRFPRPKKMH 0.31
36 DRFPRPRKMR 0.31
37 DRFFRPPKMK 0.31
38 DRFPRPPKMR 0.33
39 DRFMRPKKMH 0.33
40 DRFFRPKKMH 0.33
41 FRFFRPKKMK 0.34
42 FRFMRPKKMK 0.34
43 HRFPRIRKMK 0.34
44 HRFFRPKKMR 0.35
45 HRFMRPKKMR 0.35
46 FRFPRPKKMR 0.36
47 HRFPRIPKMK 0.36
48 HRYPRPKKMK 0.38
49 DRFMRPKKMR 0.38
50 DRFPRIRKMK 0.38
51 HRFMRPRKMH 0.38
52 DRFFRPKKMR 0.39
53 HRFFRPRKMH 0.39
54 HRFPRIKKMH 0.39
55 HRFPRPKRMK 0.39
56 DRFPRIPKMK 0.4
57 FRFPRPRKMH 0.4
58 HRFMRPPKMH 0.4
59 HRFFRPPKMH 0.41
60 DRYPRPKKMK 0.41
61 HRFMRIKKMK 0.41
62 HRFFRIKKMK 0.42
63 DRFFRPRKMH 0.42
64 FRFMRPRKMK 0.42
65 FRFPRPPKMH 0.42
66 DRFMRPRKMH 0.42
67 DRFPRPKRMK 0.43
68 FRFPRIKKMK 0.43
69 DRFPRIKKMH 0.43
70 FRFFRPRKMK 0.43
71 DRFMRPPKMH 0.44
72 HRFFRPRKMR 0.44
73 DRFFRPPKMH 0.44
74 HRFPRIKKMR 0.44
75 FRFMRPPKMK 0.44
76 HRFMRPRKMR 0.44
77 DRFFRIKKMK 0.45
78 FRFPRPRKMR 0.45
79 DRFMRIKKMK 0.45
80 HRFMRPPKMR 0.45
81 FRFFRPPKMK 0.45
82 HRFFRPPKMR 0.46
83 HRYPRPRKMK 0.46
84 FRFPRPPKMR 0.47
85 FRFMRPKKMH 0.47
86 FRFFRPKKMH 0.47
87 DRFMRPRKMR 0.47
88 HRFPRIRKMH 0.48
89 HRYPRPPKMK 0.48
90 DRFPRIKKMR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRFPRPKKMH

3.35

-13.46

-10.11
2 DRFPRPKKMH

3.58

-13.67

-10.09
3 FRFPRPRKMK

3.78

-13.77

-9.99
4 HRFPRPPKMH

2.99

-12.96

-9.97
5 DRFPRPRKMK

3.61

-13.56

-9.95
6 HRFPRPKKMR

3.32

-13.27

-9.95
7 HRFPRPRKMR

3.63

-13.08

-9.45
8 HRFPRPRKMK

4.3

-13.61

-9.31
9 HRFMRPRKMK

4.38

-13.66

-9.28
10 DRFPRPKKMR

3.17

-12.45

-9.28
11 DRFPRPPKMH

3.14

-12.39

-9.25
12 HRFMRPPKMK

3.75

-12.99

-9.24
13 HRFFRPKKMK

3.97

-13.15

-9.18
14 HRFPRPPKMK

3.69

-12.83

-9.14
15 HRFMRPKKMK

4.05

-13.11

-9.06
16 FRFPRPPKMK

3.64

-12.65

-9.01
17 DRFMRPKKMK

3.78

-12.49

-8.71
18 DRFPRPPKMK

4.08

-12.55

-8.47
19 HRFPRPKKMK

4.15

-12.56

-8.41
20 HRFPRPPKMR

3.72

-12.12

-8.4
21 HRFFRPPKMK

4.1

-12.48

-8.38
22 FRFPRPKKMK

3.51

-11.81

-8.3
23 DRFPRPKKMK

4.56

-12.85

-8.29
24 DRFPRPRKMH

4.28

-12.54

-8.26
25 HRFMRPKKMH

4.22

-12.33

-8.11
26 DRFMRPRKMK

4.92

-13.03

-8.11
27 HRFPRPRKMH

4.35

-12.42

-8.07
28 HRFFRPRKMK

3.96

-11.98

-8.02
29 DRFFRPKKMK

4.25

-11.14

-6.89
30 HRFPRIKKMK

5.09

-11.91

-6.82

 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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