Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-15.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    

(Help)

Intraclash 2.775 ΔGbinding -0.418
TOTAL
 2.357
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.295
Van der Waals -2.930 Backbone clash 0.118
Electrostatics 0.262 Helix dipole 0.000
Solvation Polar 3.572 Water bridges 0.033
Solvation Hyd -4.108 Disulfide 0.000
VdW clashes 0.091 Electrost. Kon 0.308
Entropy sc 0.467 Part.cov.bonds 0.000
Entropy mc

2.867

 ΔGstability

21.624
       

Predicted ligand sequences for model [HSE1_1GCQ-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWMIHKKR 0.0
2 RFFMIHKKR 0.0
3 RFFMIHRKR 0.03
4 RFWMIHRKR 0.04
5 RPWMIHKKR 0.09
6 RPFMIHKKR 0.09
7 RFYMIHKKR 0.09
8 RFFMIHLKR 0.1
9 RFWMIHLKR 0.11
10 RFYMIHRKR 0.12
11 RPFMIHRKR 0.12
12 RPWMIHRKR 0.12
13 RFFMKHKKR 0.14
14 RFWMKHKKR 0.14
15 RFWMKHRKR 0.17
16 RPYMIHKKR 0.17
17 RFFMKHRKR 0.17
18 RPWMIHLKR 0.19
19 RFYMIHLKR 0.19
20 RPFMIHLKR 0.19
21 RPYMIHRKR 0.2
22 RFYMKHKKR 0.22
23 RPFMKHKKR 0.22
24 RPWMKHKKR 0.23
25 RFFMKHLKR 0.24
26 RFWMKHLKR 0.24
27 RFYMKHRKR 0.25
28 RPFMKHRKR 0.26
29 RPWMKHRKR 0.26
30 RPYMIHLKR 0.27
31 RFFMVHKKR 0.28
32 RFWMVHKKR 0.28
33 RRFMIHKKR 0.29
34 RRWMIHKKR 0.29
35 RFWMIHKRR 0.3
36 RFFMIHKRR 0.3
37 RFWMVHRKR 0.31
38 RFFMVHRKR 0.31
39 RPYMKHKKR 0.31
40 RFYMKHLKR 0.32
41 RRFMIHRKR 0.32
42 RRWMIHRKR 0.32
43 RFFMIHRRR 0.33
44 RPWMKHLKR 0.33
45 RPFMKHLKR 0.33
46 RFWMIHRRR 0.34
47 RPYMKHRKR 0.34
48 RFYMVHKKR 0.36
49 RPFMVHKKR 0.36
50 RRYMIHKKR 0.37
51 RPWMVHKKR 0.37
52 RFYMIHKRR 0.38
53 RFFMVHLKR 0.38
54 RFWMVHLKR 0.38
55 RFYMVHRKR 0.39
56 RPFMIHKRR 0.39
57 RRFMIHLKR 0.39
58 RPWMIHKRR 0.39
59 RRWMIHLKR 0.39
60 RRYMIHRKR 0.4
61 RFFMIHLRR 0.4
62 RPFMVHRKR 0.4
63 RPWMVHRKR 0.4
64 RFWMIHLRR 0.41
65 RPYMKHLKR 0.41
66 RPFMIHRRR 0.42
67 RFYMIHRRR 0.42
68 RRWMKHKKR 0.42
69 RRFMKHKKR 0.42
70 RPWMIHRRR 0.42
71 RFFMKHKRR 0.43
72 RFWMKHKRR 0.44
73 FFFMIHKKR 0.44
74 RRFMKHRKR 0.45
75 FFWMIHKKR 0.45
76 RPYMVHKKR 0.45
77 RFYMVHLKR 0.46
78 RRWMKHRKR 0.46
79 RPWMVHLKR 0.47
80 RPYMIHKRR 0.47
81 RPFMVHLKR 0.47
82 RRYMIHLKR 0.47
83 RFWMKHRRR 0.47
84 RFFMKHRRR 0.47
85 FFFMIHRKR 0.47
86 RFFMIHKIR 0.48
87 RPYMVHRKR 0.48
88 FFWMIHRKR 0.48
89 RPWMIHLRR 0.49
90 RFWMIHKIR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPYMIHKKR

3.58

-15.19

-11.61
2 RPFMIHLKR

3.54

-13.41

-9.87
3 RPYMIHRKR

3.58

-13.4

-9.82
4 RPWMIHRKR

3.47

-12.46

-8.99
5 RPWMIHKKR

4.08

-13.06

-8.98
6 RFYMIHLKR

4.46

-13.04

-8.58
7 RFWMKHRKR

4.1

-12.64

-8.54
8 RFYMKHKKR

3.96

-12.39

-8.43
9 RFFMKHLKR

4.22

-12.59

-8.37
10 RPFMIHKKR

4.92

-13.2

-8.28
11 RFWMKHLKR

5.17

-13.33

-8.16
12 RFFMIHKKR

4.6

-12.7

-8.1
13 RFYMKHRKR

3.78

-11.81

-8.03
14 RPWMKHKKR

3.65

-11.68

-8.03
15 RFWMIHRKR

4.91

-12.87

-7.96
16 RFFMIHRKR

4.87

-12.8

-7.93
17 RFFMKHRKR

3.95

-11.63

-7.68
18 RFWMIHLKR

3.89

-11.55

-7.66
19 RPWMIHLKR

4.46

-11.55

-7.09
20 RFYMIHRKR

4.42

-11.47

-7.05
21 RFFMIHLKR

5.64

-12.61

-6.97
22 RFWMIHKKR

4.98

-11.77

-6.79
23 RPWMKHRKR

4.34

-11.0

-6.66
24 RFFMKHKKR

4.97

-11.39

-6.42
25 RPYMIHLKR

4.98

-11.06

-6.08
26 RPFMKHKKR

4.31

-10.35

-6.04
27 RFYMIHKKR

5.45

-11.48

-6.03
28 RPFMKHRKR

3.82

-9.62

-5.8
29 RFWMKHKKR

2.98

-8.31

-5.33
30 RPFMIHRKR

5.65

-9.64

-3.99

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER