Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-4.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 6.380 ΔGbinding 10.173
TOTAL
 16.553
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.250
Van der Waals -4.890 Backbone clash 0.127
Electrostatics -0.133 Helix dipole 0.000
Solvation Polar 4.863 Water bridges 0.000
Solvation Hyd -7.267 Disulfide 0.000
VdW clashes 14.243 Electrost. Kon -0.218
Entropy sc 0.956 Part.cov.bonds 0.000
Entropy mc

2.644

 ΔGstability

43.772
       

Predicted ligand sequences for model [HSE1_1SEM-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 ARPRPPRDPR 0.0
2 ARPRPPRPPR 0.06
3 ARPRPPRWPR 0.06
4 ARPRRPRDPR 0.1
5 ARHRPPRDPR 0.1
6 ARFRPPRDPR 0.13
7 ARHRPPRPPR 0.15
8 ARHRPPRWPR 0.15
9 ARPRRPRWPR 0.16
10 ARPRRPRPPR 0.16
11 IRPRPPRDPR 0.19
12 ARFRPPRWPR 0.19
13 ARFRPPRPPR 0.19
14 ARHRRPRDPR 0.19
15 ARFRRPRDPR 0.23
16 IRPRPPRPPR 0.25
17 ARHRRPRWPR 0.25
18 ARHRRPRPPR 0.25
19 IRPRPPRWPR 0.25
20 IRHRPPRDPR 0.28
21 ARFRRPRPPR 0.29
22 ARPRKPRDPR 0.29
23 IRPRRPRDPR 0.29
24 ARFRRPRWPR 0.29
25 IRFRPPRDPR 0.32
26 IRHRPPRPPR 0.34
27 IRHRPPRWPR 0.34
28 IRPRRPRPPR 0.35
29 ARPRKPRWPR 0.35
30 IRPRRPRWPR 0.35
31 ARPRKPRPPR 0.35
32 IRFRPPRPPR 0.38
33 IRHRRPRDPR 0.38
34 IRFRPPRWPR 0.38
35 ARHRKPRDPR 0.39
36 IRFRRPRDPR 0.42
37 FRPRPPRDPR 0.43
38 ARFRKPRDPR 0.43
39 ARPKPPRDPR 0.43
40 IRHRRPRWPR 0.44
41 IRHRRPRPPR 0.44
42 ARHRKPRWPR 0.45
43 ARHRKPRPPR 0.45
44 IRPRKPRDPR 0.48
45 IRFRRPRPPR 0.48
46 IRFRRPRWPR 0.48
47 FRPRPPRPPR 0.49
48 ARPKPPRPPR 0.49
49 FRPRPPRWPR 0.49
50 ARFRKPRPPR 0.49
51 ARPKPPRWPR 0.49
52 ARFRKPRWPR 0.49
53 FRHRPPRDPR 0.52
54 ARHKPPRDPR 0.52
55 FRPRRPRDPR 0.53
56 ARPKRPRDPR 0.53
57 IRPRKPRWPR 0.54
58 IRPRKPRPPR 0.54
59 FRFRPPRDPR 0.56
60 ARFKPPRDPR 0.56
61 ARHKPPRPPR 0.58
62 IRHRKPRDPR 0.58
63 FRHRPPRPPR 0.58
64 FRHRPPRWPR 0.58
65 FRPRRPRPPR 0.58
66 FRPRRPRWPR 0.58
67 ARHKPPRWPR 0.58
68 ARPKRPRPPR 0.59
69 ARPKRPRWPR 0.59
70 ARFKPPRPPR 0.62
71 FRHRRPRDPR 0.62
72 ARHKRPRDPR 0.62
73 IRPKPPRDPR 0.62
74 ARFKPPRWPR 0.62
75 FRFRPPRPPR 0.62
76 FRFRPPRWPR 0.62
77 IRFRKPRDPR 0.62
78 IRHRKPRWPR 0.64
79 IRHRKPRPPR 0.64
80 FRFRRPRDPR 0.66
81 ARFKRPRDPR 0.66
82 IRFRKPRWPR 0.68
83 FRHRRPRPPR 0.68
84 IRPKPPRPPR 0.68
85 ARHKRPRPPR 0.68
86 IRFRKPRPPR 0.68
87 IRPKPPRWPR 0.68
88 ARHKRPRWPR 0.68
89 FRHRRPRWPR 0.68
90 IRHKPPRDPR 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IRHRPPRPPR

5.81

-8.96

-3.15
2 ARHRRPRWPR

4.99

-7.87

-2.88
3 IRHRPPRDPR

6.29

-8.9

-2.61
4 ARHRPPRWPR

4.92

-7.28

-2.36
5 IRPRRPRPPR

4.23

-6.39

-2.16
6 ARHRRPRPPR

4.95

-6.69

-1.74
7 ARPRRPRWPR

4.83

-6.44

-1.61
8 ARFRRPRPPR

4.42

-6.01

-1.59
9 IRHRPPRWPR

6.05

-7.53

-1.48
10 IRPRPPRWPR

5.21

-6.66

-1.45
11 IRPRRPRDPR

5.93

-7.25

-1.32
12 ARFRRPRDPR

3.93

-5.0

-1.07
13 IRFRPPRDPR

4.89

-5.95

-1.06
14 ARPRRPRPPR

4.22

-5.21

-0.99
15 ARPRPPRPPR

4.57

-5.54

-0.97
16 ARHRPPRPPR

4.17

-5.13

-0.96
17 ARFRRPRWPR

4.32

-5.22

-0.9
18 IRPRPPRPPR

5.27

-6.07

-0.8
19 ARFRPPRDPR

4.21

-4.81

-0.6
20 ARPRRPRDPR

4.44

-5.0

-0.56
21 IRPRPPRDPR

4.88

-5.21

-0.33
22 ARHRPPRDPR

5.17

-5.43

-0.26
23 IRPRRPRWPR

5.06

-5.21

-0.15
24 ARFRPPRPPR

5.21

-5.35

-0.14
25 ARPRKPRDPR

4.88

-4.98

-0.1
26 ARPRPPRWPR

5.8

-5.59

0.21
27 ARFRPPRWPR

5.29

-5.06

0.23
28 ARHRRPRDPR

4.97

-4.39

0.58
29 ARPRKPRWPR

5.23

-4.21

1.02
30 ARPRPPRDPR

5.28

-4.06

1.22

 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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