Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-19.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
G
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 10.047 ΔGbinding 1.534
TOTAL
 11.581
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.345
Van der Waals -4.857 Backbone clash 0.015
Electrostatics 0.393 Helix dipole 0.000
Solvation Polar 4.894 Water bridges 0.038
Solvation Hyd -6.954 Disulfide 0.000
VdW clashes 2.448 Electrost. Kon 0.404
Entropy sc 0.511 Part.cov.bonds 0.000
Entropy mc

4.310

 ΔGstability

35.382
       

Predicted ligand sequences for model [HSE1_1GCQ-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKLNGYRG 0.0
2 RRRLNGYRG 0.04
3 RRKLTGYRG 0.09
4 RRRLTGYRG 0.14
5 DRKLNGYRG 0.17
6 RDKLNGYRG 0.19
7 DRRLNGYRG 0.21
8 RDRLNGYRG 0.24
9 RPKLNGYRG 0.24
10 RRFLNGYRG 0.26
11 DRKLTGYRG 0.27
12 RPRLNGYRG 0.28
13 RRKLNGYRY 0.28
14 RDKLTGYRG 0.29
15 DRRLTGYRG 0.31
16 RRRLNGYRY 0.32
17 RPKLTGYRG 0.33
18 RDRLTGYRG 0.33
19 RRFLTGYRG 0.36
20 DDKLNGYRG 0.37
21 RPRLTGYRG 0.37
22 RRKLTGYRY 0.38
23 IRKLNGYRG 0.39
24 DPKLNGYRG 0.41
25 DDRLNGYRG 0.41
26 RRRLTGYRY 0.42
27 IRRLNGYRG 0.43
28 DRFLNGYRG 0.44
29 DPRLNGYRG 0.45
30 RRKLSGYRG 0.45
31 DDKLTGYRG 0.46
32 DRKLNGYRY 0.46
33 RDFLNGYRG 0.46
34 RRKLNGKRG 0.48
35 RDKLNGYRY 0.48
36 IRKLTGYRG 0.49
37 DRRLNGYRY 0.5
38 RPFLNGYRG 0.5
39 DDRLTGYRG 0.5
40 RRRLSGYRG 0.5
41 DPKLTGYRG 0.51
42 RDRLNGYRY 0.52
43 RRRLNGKRG 0.52
44 RPKLNGYRY 0.52
45 DRFLTGYRG 0.53
46 IRRLTGYRG 0.53
47 RDFLTGYRG 0.55
48 RRFLNGYRY 0.55
49 DRKLTGYRY 0.55
50 DPRLTGYRG 0.55
51 RPRLNGYRY 0.56
52 RRKLTGKRG 0.57
53 RDKLTGYRY 0.57
54 DRRLTGYRY 0.59
55 RPFLTGYRG 0.59
56 IDKLNGYRG 0.59
57 RPKLTGYRY 0.61
58 RRRLTGKRG 0.61
59 RDRLTGYRY 0.61
60 DRKLSGYRG 0.63
61 IPKLNGYRG 0.63
62 IDRLNGYRG 0.63
63 DDFLNGYRG 0.63
64 RRFLTGYRY 0.64
65 DDKLNGYRY 0.65
66 DRKLNGKRG 0.65
67 RDKLSGYRG 0.65
68 IRFLNGYRG 0.66
69 RPRLTGYRY 0.66
70 DRRLSGYRG 0.67
71 RDKLNGKRG 0.67
72 IPRLNGYRG 0.67
73 DPFLNGYRG 0.68
74 IRKLNGYRY 0.68
75 IDKLTGYRG 0.68
76 DPKLNGYRY 0.69
77 DDRLNGYRY 0.69
78 RPKLSGYRG 0.69
79 DRRLNGKRG 0.69
80 RDRLSGYRG 0.69
81 RDRLNGKRG 0.71
82 RPKLNGKRG 0.72
83 RRFLSGYRG 0.72
84 DDFLTGYRG 0.72
85 DRFLNGYRY 0.72
86 IDRLTGYRG 0.72
87 IPKLTGYRG 0.72
88 IRRLNGYRY 0.72
89 RPRLSGYRG 0.73
90 DPRLNGYRY 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRLNGYRG

6.76

-10.81

-4.05
2 RPRLNGYRG

5.44

-8.6

-3.16
3 RDRLNGYRG

6.29

-9.44

-3.15
4 RPKLNGYRG

5.82

-8.72

-2.9
5 DPRLNGYRG

5.97

-8.61

-2.64
6 RRKLNGYRY

6.43

-8.95

-2.52
7 RRRLTGYRY

6.68

-9.01

-2.33
8 RPKLTGYRG

5.97

-8.25

-2.28
9 RPRLTGYRG

6.71

-8.77

-2.06
10 RRRLNGYRY

6.51

-8.56

-2.05
11 RDKLNGYRG

6.46

-8.36

-1.9
12 DDRLNGYRG

6.23

-8.03

-1.8
13 RRRLTGYRG

6.34

-8.09

-1.75
14 RRFLNGYRG

6.81

-8.5

-1.69
15 IRRLNGYRG

6.48

-8.09

-1.61
16 DPKLNGYRG

6.14

-7.68

-1.54
17 DDKLNGYRG

6.21

-7.65

-1.44
18 DRRLTGYRG

6.29

-7.68

-1.39
19 RRKLNGYRG

7.41

-8.59

-1.18
20 DRFLNGYRG

6.94

-8.03

-1.09
21 DRKLNGYRG

6.08

-7.05

-0.97
22 RRKLSGYRG

6.25

-7.14

-0.89
23 RDRLTGYRG

7.01

-7.85

-0.84
24 IRKLNGYRG

6.15

-6.97

-0.82
25 DRRLNGYRG

6.48

-7.18

-0.7
26 RRKLTGYRY

7.05

-7.7

-0.65
27 RRKLTGYRG

6.53

-6.62

-0.09
28 RRFLTGYRG

6.08

-6.09

-0.01
29 DRKLTGYRG

6.36

-6.24

0.12
30 RDKLTGYRG

5.92

-4.96

0.96

 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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