Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-25.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 7.585 ΔGbinding 0.503
TOTAL
 8.088
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.474
Van der Waals -4.197 Backbone clash 0.006
Electrostatics -0.070 Helix dipole 0.000
Solvation Polar 4.687 Water bridges -0.026
Solvation Hyd -5.861 Disulfide 0.000
VdW clashes 3.356 Electrost. Kon -0.133
Entropy sc 0.495 Part.cov.bonds 0.000
Entropy mc

3.053

 ΔGstability

59.757
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYRPMGSRM 0.0
2 RYRPMGTRM 0.02
3 RYRPMGSRR 0.14
4 RYRPRGSRM 0.14
5 RYRPMGTRR 0.16
6 RYRPRGTRM 0.17
7 KYRPMGSRM 0.19
8 HYRPMGSRM 0.2
9 KYRPMGTRM 0.22
10 HYRPMGTRM 0.22
11 RYRPIGSRM 0.24
12 RYRPIGTRM 0.27
13 RYRPRGSRR 0.28
14 RYRPRGTRR 0.3
15 KYRPMGSRR 0.33
16 HYRPMGSRR 0.34
17 KYRPRGSRM 0.34
18 HYRPRGSRM 0.34
19 RFRPMGSRM 0.34
20 KYRPRGTRM 0.36
21 HYRPRGTRM 0.36
22 KYRPMGTRR 0.36
23 RFRPMGTRM 0.36
24 HYRPMGTRR 0.36
25 RYRPIGSRR 0.38
26 RYRKMGSRM 0.39
27 RYRPIGTRR 0.4
28 RYRKMGTRM 0.41
29 KYRPIGSRM 0.43
30 HYRPIGSRM 0.44
31 KYRPIGTRM 0.46
32 RYRFMGSRM 0.46
33 RYRPMGSRK 0.46
34 HYRPIGTRM 0.46
35 KYRPRGSRR 0.47
36 RFRPRGSRM 0.48
37 RYRFMGTRM 0.48
38 HYRPRGSRR 0.48
39 RFRPMGSRR 0.48
40 RYRPMGTRK 0.49
41 KYRPRGTRR 0.5
42 HYRPRGTRR 0.5
43 RFRPMGTRR 0.5
44 RFRPRGTRM 0.5
45 RYRKMGSRR 0.52
46 HFRPMGSRM 0.53
47 RYRKRGSRM 0.53
48 KFRPMGSRM 0.53
49 RYRKMGTRR 0.55
50 RYRKRGTRM 0.55
51 KFRPMGTRM 0.55
52 HFRPMGTRM 0.56
53 KYRPIGSRR 0.57
54 HYRKMGSRM 0.58
55 HYRPIGSRR 0.58
56 KYRKMGSRM 0.58
57 RFRPIGSRM 0.58
58 RYRFMGSRR 0.6
59 HYRKMGTRM 0.6
60 RYRFRGSRM 0.6
61 KYRKMGTRM 0.6
62 HYRPIGTRR 0.6
63 KYRPIGTRR 0.6
64 RFRPIGTRM 0.6
65 RYRPRGSRK 0.61
66 RYRFRGTRM 0.62
67 RFRPRGSRR 0.62
68 RYRFMGTRR 0.62
69 RYRPRGTRK 0.63
70 RYRKIGSRM 0.63
71 RFRPRGTRR 0.64
72 RYRKIGTRM 0.65
73 HYRFMGSRM 0.65
74 KYRFMGSRM 0.65
75 HYRPMGSRK 0.66
76 KYRPMGSRK 0.66
77 KFRPMGSRR 0.67
78 HFRPMGSRR 0.67
79 RYRKRGSRR 0.67
80 HFRPRGSRM 0.67
81 KFRPRGSRM 0.67
82 HYRFMGTRM 0.68
83 KYRPMGTRK 0.68
84 HYRPMGTRK 0.68
85 KYRFMGTRM 0.68
86 RYRKRGTRR 0.69
87 KFRPMGTRR 0.69
88 RYRFIGSRM 0.7
89 KFRPRGTRM 0.7
90 HFRPMGTRR 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RYRKMGTRM

4.85

-8.19

-3.34
2 RYRPMGTRM

4.76

-7.57

-2.81
3 KYRPRGSRM

4.96

-7.42

-2.46
4 RYRKMGSRM

5.48

-7.88

-2.4
5 KYRPMGSRM

5.64

-7.99

-2.35
6 RYRPMGTRR

4.12

-6.44

-2.32
7 KYRPMGTRR

5.27

-7.43

-2.16
8 HYRPMGSRM

5.42

-7.33

-1.91
9 RYRPRGTRM

4.86

-6.61

-1.75
10 RYRPIGTRR

5.4

-7.12

-1.72
11 RYRPIGSRM

5.38

-7.08

-1.7
12 KYRPMGSRR

4.14

-5.82

-1.68
13 RYRPMGSRM

5.24

-6.82

-1.58
14 RFRPMGTRM

5.43

-7.01

-1.58
15 RYRPIGSRR

5.52

-7.09

-1.57
16 HYRPMGTRM

5.31

-6.72

-1.41
17 RYRPMGSRR

6.24

-7.64

-1.4
18 KYRPMGTRM

5.3

-6.68

-1.38
19 KYRPIGSRM

5.54

-6.68

-1.14
20 HYRPIGSRM

5.99

-7.02

-1.03
21 KYRPRGTRM

5.41

-6.41

-1.0
22 HYRPMGTRR

6.37

-7.37

-1.0
23 HYRPRGSRM

5.41

-6.31

-0.9
24 HYRPRGTRM

5.49

-6.3

-0.81
25 RYRPRGSRR

6.3

-7.1

-0.8
26 RYRPRGTRR

6.22

-6.88

-0.66
27 RFRPMGSRM

5.53

-6.18

-0.65
28 RYRPIGTRM

6.0

-6.59

-0.59
29 RYRPRGSRM

5.2

-5.74

-0.54
30 HYRPMGSRR

6.17

-6.62

-0.45

 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