Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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    

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Intraclash 7.878 ΔGbinding 1.883
TOTAL
 9.761
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.713
Van der Waals -2.953 Backbone clash 0.005
Electrostatics 0.037 Helix dipole 0.000
Solvation Polar 2.506 Water bridges -0.033
Solvation Hyd -4.595 Disulfide 0.000
VdW clashes 3.065 Electrost. Kon 0.017
Entropy sc 0.352 Part.cov.bonds 0.000
Entropy mc

2.774

 ΔGstability

51.247
       

Predicted ligand sequences for model [BEM1-D2_1SEM-11.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-D2_1SEM-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRPRHRM 0.0
2 YRPRHRN 0.0
3 YRWRHRM 0.09
4 YRWRHRN 0.1
5 YRRRHRN 0.21
6 YRRRHRM 0.21
7 YRKRHRN 0.24
8 YRKRHRM 0.24
9 YRFRHRM 0.38
10 YRFRHRN 0.39
11 YRPRHRL 0.43
12 YRWRHRL 0.52
13 YRPRHRR 0.62
14 YRRRHRL 0.63
15 YRKRHRL 0.66
16 YRWRHRR 0.71
17 YRPRPRM 0.72
18 YRPRPRN 0.72
19 YRPRHQM 0.72
20 YRPRHQN 0.73
21 YRWRPRN 0.81
22 YRWRPRM 0.81
23 YRWRHQM 0.81
24 YRFRHRL 0.81
25 YRWRHQN 0.82
26 YRRRHRR 0.83
27 YKPRHRN 0.84
28 YKPRHRM 0.84
29 YRKRHRR 0.86
30 YRRRPRM 0.92
31 YRRRHQN 0.93
32 YRRRHQM 0.93
33 YKWRHRM 0.93
34 YKWRHRN 0.93
35 YRRRPRN 0.93
36 YRKRPRM 0.95
37 YRKRHQN 0.96
38 YRKRHQM 0.96
39 YRKRPRN 0.96
40 YRFRHRR 1.0
41 YKRRHRM 1.04
42 YKRRHRN 1.05
43 YKKRHRM 1.07
44 YKKRHRN 1.08
45 YRFRPRN 1.1
46 YRFRPRM 1.1
47 YRFRHQM 1.1
48 YRFRHQN 1.11
49 YRPRPRL 1.15
50 YRPRHQL 1.15
51 YKFRHRN 1.22
52 YKFRHRM 1.22
53 YRWRPRL 1.24
54 YRWRHQL 1.24
55 YKPRHRL 1.26
56 YRPRPRR 1.34
57 YRPRHQR 1.34
58 YRRRHQL 1.35
59 YKWRHRL 1.35
60 YRRRPRL 1.35
61 YRKRPRL 1.38
62 YRKRHQL 1.39
63 YRWRPRR 1.43
64 YRWRHQR 1.43
65 YRPRPQM 1.44
66 YRPRPQN 1.44
67 YKPRHRR 1.46
68 YKRRHRL 1.47
69 YKKRHRL 1.5
70 YRFRPRL 1.53
71 YRFRHQL 1.53
72 YRWRPQN 1.53
73 YRWRPQM 1.53
74 YRRRPRR 1.54
75 YRRRHQR 1.55
76 YKWRHRR 1.55
77 YKPRPRM 1.55
78 YKPRHQN 1.56
79 YKPRHQM 1.56
80 YKPRPRN 1.56
81 YRKRPRR 1.57
82 YRKRHQR 1.58
83 YKWRHQM 1.65
84 YKWRHQN 1.65
85 YKWRPRM 1.65
86 YKWRPRN 1.65
87 YRRRPQN 1.65
88 YRRRPQM 1.65
89 YKFRHRL 1.65
90 YKRRHRR 1.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRPRPRM

2.17

-9.99

-7.82
2 YRWRPRN

2.81

-9.58

-6.77
3 YRPRPRN

3.0

-8.97

-5.97
4 YRPRHRR

3.41

-8.33

-4.92
5 YRKRHRR

3.51

-7.94

-4.43
6 YRRRHRN

3.4

-7.8

-4.4
7 YRFRHRL

3.15

-7.54

-4.39
8 YRRRHRR

2.97

-7.35

-4.38
9 YRWRHRR

3.56

-7.91

-4.35
10 YRFRHRN

3.48

-7.72

-4.24
11 YRWRHRN

3.46

-7.55

-4.09
12 YRWRHRM

3.35

-7.24

-3.89
13 YRWRPRM

3.89

-7.68

-3.79
14 YRPRHRL

3.86

-7.54

-3.68
15 YRFRHRM

4.09

-7.74

-3.65
16 YRWRHRL

2.64

-6.06

-3.42
17 YRRRHRL

4.0

-7.35

-3.35
18 YRWRHQN

3.21

-6.44

-3.23
19 YRRRPRM

3.42

-6.54

-3.12
20 YKPRHRM

3.39

-6.47

-3.08
21 YRKRHRM

3.29

-6.33

-3.04
22 YRWRHQM

3.74

-6.69

-2.95
23 YRPRHRN

4.18

-7.02

-2.84
24 YRKRHRN

3.25

-6.06

-2.81
25 YRPRHQM

3.72

-6.44

-2.72
26 YRKRHRL

4.11

-6.8

-2.69
27 YRPRHRM

3.73

-6.23

-2.5
28 YKPRHRN

4.23

-6.54

-2.31
29 YRRRHRM

3.88

-6.1

-2.22
30 YRPRHQN

3.98

-5.55

-1.57

 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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