Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-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    

(Help)

Intraclash 5.144 ΔGbinding -2.657
TOTAL
 2.487
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.399
Van der Waals -3.653 Backbone clash 0.000
Electrostatics -0.010 Helix dipole 0.000
Solvation Polar 3.769 Water bridges 0.000
Solvation Hyd -4.978 Disulfide 0.000
VdW clashes 0.677 Electrost. Kon -0.078
Entropy sc 0.453 Part.cov.bonds 0.000
Entropy mc

2.039

 ΔGstability

54.639
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-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).
 
  BEM1-D1_JO8-QCF-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DHKPRPPRRK 0.0
2 DHKPRPKRRK 0.03
3 DHKPRPPRRH 0.03
4 DHKMRPPRRK 0.04
5 DHKPRPRRRK 0.04
6 DHKFRPPRRK 0.04
7 DHKPRPKRRH 0.06
8 DHKMRPKRRK 0.07
9 DHKFRPKRRK 0.07
10 DHKPRPPRRR 0.07
11 DHKFRPPRRH 0.07
12 DHKMRPRRRK 0.08
13 DHKFRPRRRK 0.08
14 DHKMRPPRRH 0.08
15 DHKPRPRRRH 0.08
16 DHKMRPKRRH 0.1
17 DHKFRPKRRH 0.1
18 DHKPRPKRRR 0.1
19 DHKMRPPRRR 0.11
20 DHKPRPRRRR 0.11
21 DHKFRPPRRR 0.11
22 DHKMRPRRRH 0.12
23 DHKFRPRRRH 0.12
24 DMKPRPPRRK 0.13
25 DHKMRPKRRR 0.14
26 DHKFRPKRRR 0.14
27 DLKPRPPRRK 0.14
28 DHKMRPRRRR 0.15
29 DHKFRPRRRR 0.15
30 DMKPRPKRRK 0.15
31 DMKPRPPRRH 0.16
32 DLKPRPPRRH 0.17
33 DMKMRPPRRK 0.17
34 DLKPRPKRRK 0.17
35 DMKPRPRRRK 0.17
36 DMKFRPPRRK 0.17
37 DLKFRPPRRK 0.18
38 DLKMRPPRRK 0.18
39 DLKPRPRRRK 0.18
40 DMKPRPKRRH 0.19
41 HHKPRPPRRK 0.19
42 DMKFRPKRRK 0.2
43 DMKPRPRRRH 0.2
44 DMKMRPPRRH 0.2
45 DLKPRPKRRH 0.2
46 DMKMRPKRRK 0.2
47 DMKPRPPRRR 0.2
48 DMKFRPPRRH 0.2
49 DLKFRPPRRH 0.21
50 DMKMRPRRRK 0.21
51 DLKFRPKRRK 0.21
52 DLKPRPPRRR 0.21
53 DMKFRPRRRK 0.21
54 DLKMRPKRRK 0.21
55 DLKMRPPRRH 0.21
56 DLKPRPRRRH 0.21
57 DLKMRPRRRK 0.22
58 DLKFRPRRRK 0.22
59 DMKPRPKRRR 0.22
60 HHKPRPKRRK 0.22
61 HHKPRPPRRH 0.22
62 HHKFRPPRRK 0.23
63 DMKFRPKRRH 0.23
64 HHKPRPRRRK 0.23
65 HHKMRPPRRK 0.23
66 DMKMRPKRRH 0.23
67 DMKMRPRRRH 0.24
68 DLKFRPKRRH 0.24
69 DMKMRPPRRR 0.24
70 DMKFRPRRRH 0.24
71 DLKPRPKRRR 0.24
72 DMKPRPRRRR 0.24
73 DLKMRPKRRH 0.24
74 DMKFRPPRRR 0.24
75 DLKFRPPRRR 0.25
76 DLKFRPRRRH 0.25
77 HHKPRPKRRH 0.25
78 DLKMRPPRRR 0.25
79 DLKPRPRRRR 0.25
80 HHKFRPPRRH 0.26
81 HHKFRPKRRK 0.26
82 HHKMRPKRRK 0.26
83 DLKMRPRRRH 0.26
84 HHKPRPPRRR 0.26
85 DMKFRPKRRR 0.27
86 HHKFRPRRRK 0.27
87 HHKPRPRRRH 0.27
88 HHKMRPPRRH 0.27
89 DMKMRPKRRR 0.27
90 HHKMRPRRRK 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DHKFRPPRRR

5.02

-15.56

-10.54
2 DHKFRPRRRR

4.93

-15.31

-10.38
3 DHKMRPRRRK

5.11

-15.39

-10.28
4 DHKMRPKRRK

5.23

-15.45

-10.22
5 DHKMRPRRRR

5.25

-15.38

-10.13
6 DHKPRPPRRR

4.77

-14.75

-9.98
7 DHKMRPPRRR

6.15

-16.09

-9.94
8 DHKFRPPRRK

5.17

-15.08

-9.91
9 DHKFRPKRRR

4.96

-14.82

-9.86
10 DHKMRPRRRH

6.11

-15.94

-9.83
11 DHKPRPPRRH

4.9

-14.65

-9.75
12 DHKPRPRRRH

4.93

-14.48

-9.55
13 DHKMRPPRRK

6.0

-15.49

-9.49
14 DMKPRPPRRK

5.8

-15.27

-9.47
15 DHKFRPRRRH

5.63

-14.95

-9.32
16 DHKFRPKRRH

5.45

-14.7

-9.25
17 DHKPRPPRRK

5.75

-14.98

-9.23
18 DLKPRPPRRK

5.26

-14.34

-9.08
19 DMKPRPKRRK

6.05

-15.1

-9.05
20 DHKPRPRRRR

5.3

-14.28

-8.98
21 DHKPRPKRRH

5.07

-13.94

-8.87
22 DHKFRPKRRK

4.97

-13.8

-8.83
23 DHKMRPKRRR

6.27

-14.98

-8.71
24 DHKPRPKRRR

5.4

-14.06

-8.66
25 DHKPRPKRRK

6.0

-14.65

-8.65
26 DHKMRPKRRH

5.67

-14.17

-8.5
27 DHKPRPRRRK

6.1

-14.54

-8.44
28 DHKFRPPRRH

4.85

-13.0

-8.15
29 DHKFRPRRRK

5.32

-12.59

-7.27
30 DHKMRPPRRH

4.87

-12.12

-7.25

 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