Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-21.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
 G
G
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 1.864 ΔGbinding 0.304
TOTAL
 2.168
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.196
Van der Waals -2.251 Backbone clash 0.108
Electrostatics 0.254 Helix dipole 0.000
Solvation Polar 2.951 Water bridges -0.023
Solvation Hyd -2.913 Disulfide 0.000
VdW clashes 0.525 Electrost. Kon 0.269
Entropy sc 1.005 Part.cov.bonds 0.000
Entropy mc

2.841

 ΔGstability

36.000
       

Predicted ligand sequences for model [HSE1_1SEM-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWKRGRPHRR 0.0
2 WWKRGRPNRR 0.26
3 WWKRQRPHRR 0.3
4 WWKRGRTHRR 0.33
5 WWKRHRPHRR 0.36
6 WWKRRRPHRR 0.42
7 WWKRGRPKRR 0.43
8 WWKRGRQHRR 0.44
9 WWKRGREHRR 0.47
10 WWKRGRMHRR 0.51
11 WWKRKRPHRR 0.53
12 WWKRQRPNRR 0.56
13 WWKRGRTNRR 0.59
14 EWKRGRPHRR 0.61
15 WWKRHRPNRR 0.62
16 FWKRGRPHRR 0.64
17 WWKRQRTHRR 0.64
18 WWKRRRPNRR 0.68
19 WWKRHRTHRR 0.7
20 WWKRGRQNRR 0.7
21 WWKRGRENRR 0.73
22 WWKRQRQHRR 0.74
23 WWKRQRPKRR 0.74
24 WWKRRRTHRR 0.76
25 WWKRGRTKRR 0.77
26 WWKRGRMNRR 0.77
27 WWKRQREHRR 0.77
28 WWKRKRPNRR 0.79
29 WWKRHRPKRR 0.8
30 WWKRHRQHRR 0.8
31 WWKRQRMHRR 0.81
32 WWKRHREHRR 0.83
33 WWKRKRTHRR 0.86
34 WWKRRRQHRR 0.86
35 WWKRRRPKRR 0.86
36 WWKRHRMHRR 0.87
37 WWKRGRQKRR 0.87
38 EWKRGRPNRR 0.87
39 WWKRRREHRR 0.89
40 WWKRQRTNRR 0.9
41 FWKRGRPNRR 0.9
42 WWKRGREKRR 0.9
43 EWKRQRPHRR 0.92
44 WWKRRRMHRR 0.93
45 WWKRGRMKRR 0.94
46 FWKRQRPHRR 0.95
47 EWKRGRTHRR 0.95
48 WWKRKRPKRR 0.96
49 WWKRHRTNRR 0.96
50 WWKRKRQHRR 0.97
51 FWKRGRTHRR 0.98
52 EWKRHRPHRR 0.98
53 WWKRQRQNRR 1.0
54 WWKRKREHRR 1.0
55 FWKRHRPHRR 1.01
56 WWKRRRTNRR 1.02
57 WWKRQRENRR 1.03
58 EWKRRRPHRR 1.04
59 WWKRKRMHRR 1.04
60 EWKRGRQHRR 1.05
61 EWKRGRPKRR 1.05
62 WWKRHRQNRR 1.06
63 WWKRQRMNRR 1.07
64 FWKRRRPHRR 1.07
65 WWKRQRTKRR 1.07
66 FWKRGRQHRR 1.08
67 EWKRGREHRR 1.08
68 FWKRGRPKRR 1.08
69 WWKRHRENRR 1.09
70 FWKRGREHRR 1.11
71 WWKRRRQNRR 1.12
72 EWKRGRMHRR 1.12
73 WWKRKRTNRR 1.12
74 WWKRHRMNRR 1.13
75 WWKRHRTKRR 1.13
76 EWKRKRPHRR 1.14
77 FWKRGRMHRR 1.15
78 WWKRRRENRR 1.15
79 FWKRKRPHRR 1.17
80 WWKRQRQKRR 1.18
81 EWKRQRPNRR 1.18
82 WWKRRRMNRR 1.19
83 WWKRRRTKRR 1.19
84 WWKRQREKRR 1.21
85 FWKRQRPNRR 1.21
86 EWKRGRTNRR 1.21
87 WWKRKRQNRR 1.23
88 FWKRGRTNRR 1.24
89 WWKRHRQKRR 1.24
90 EWKRHRPNRR 1.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WWKRGRPKRR

5.97

-10.17

-4.2
2 WWKRGRTKRR

5.97

-9.76

-3.79
3 WWKRGRMNRR

5.89

-8.66

-2.77
4 WWKRGRENRR

6.23

-8.93

-2.7
5 EWKRGRPHRR

6.87

-9.2

-2.33
6 WWKRQREHRR

7.18

-9.43

-2.25
7 WWKRGRQHRR

5.6

-7.77

-2.17
8 WWKRGRPNRR

4.02

-6.12

-2.1
9 WWKRGRTNRR

4.31

-6.37

-2.06
10 WWKRQRPKRR

8.22

-10.14

-1.92
11 WWKRGRQNRR

4.63

-6.34

-1.71
12 WWKRGRPHRR

6.78

-8.42

-1.64
13 WWKRGRMHRR

6.17

-7.77

-1.6
14 WWKRQRQHRR

7.51

-9.1

-1.59
15 WWKRRRPNRR

7.9

-9.37

-1.47
16 WWKRHRPHRR

7.21

-8.61

-1.4
17 WWKRHRPNRR

7.59

-8.97

-1.38
18 WWKRKRPHRR

8.12

-9.33

-1.21
19 WWKRKRPNRR

7.87

-8.96

-1.09
20 FWKRGRPHRR

6.21

-7.13

-0.92
21 WWKRQRTHRR

7.59

-8.19

-0.6
22 WWKRGREHRR

6.26

-6.69

-0.43
23 WWKRHRQHRR

7.19

-7.61

-0.42
24 WWKRHRPKRR

7.9

-8.26

-0.36
25 WWKRRRTHRR

7.41

-6.85

0.56
26 WWKRRRPHRR

8.08

-7.29

0.79
27 WWKRHRTHRR

6.61

-5.8

0.81
28 WWKRQRPNRR

8.63

-7.8

0.83
29 WWKRGRTHRR

6.81

-5.89

0.92
30 WWKRQRPHRR

8.13

-6.83

1.3

 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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