Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-14.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    

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Intraclash 8.770 ΔGbinding -2.965
TOTAL
 5.805
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.215
Van der Waals -3.942 Backbone clash 0.116
Electrostatics -0.060 Helix dipole 0.000
Solvation Polar 3.969 Water bridges -0.024
Solvation Hyd -5.719 Disulfide 0.000
VdW clashes 0.744 Electrost. Kon -0.162
Entropy sc 0.803 Part.cov.bonds 0.000
Entropy mc

3.761

 ΔGstability

48.731
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPFRIRKNL 0.0
2 IPPRIRKNL 0.0
3 IPPRRRKNL 0.04
4 IPFRRRKNL 0.04
5 RPFRIRKNL 0.06
6 RPPRIRKNL 0.06
7 KPFRIRKNL 0.07
8 IPYRIRKNL 0.08
9 KPPRIRKNL 0.08
10 IPFRIRWNL 0.09
11 RPPRRRKNL 0.09
12 RPFRRRKNL 0.09
13 IPFRIRKLL 0.09
14 IPPRIRKLL 0.09
15 IPPRIRWNL 0.1
16 KPPRRRKNL 0.11
17 KPFRRRKNL 0.11
18 IPFRRRKLL 0.12
19 IPYRRRKNL 0.12
20 IPFRIRINL 0.12
21 IPFRVRKNL 0.12
22 IPPRIRINL 0.13
23 IPFRRRWNL 0.13
24 IPPRRRWNL 0.13
25 IPPRVRKNL 0.13
26 IPPRRRKLL 0.13
27 RPFRIRKLL 0.14
28 RPYRIRKNL 0.14
29 KPYRIRKNL 0.15
30 RPPRIRKLL 0.15
31 IPFRIRKNR 0.15
32 IPPRIRKNR 0.15
33 RPFRIRWNL 0.15
34 RPPRIRWNL 0.15
35 IPPRRRINL 0.16
36 IPFRRRINL 0.16
37 KPFRIRKLL 0.16
38 KPPRIRKLL 0.17
39 RPYRRRKNL 0.17
40 IPFRIRKKL 0.17
41 KPPRIRWNL 0.17
42 IPYRIRKLL 0.17
43 KPFRIRWNL 0.17
44 RPFRRRKLL 0.18
45 RPFRIRINL 0.18
46 IPPRIRKKL 0.18
47 IPFRIRWLL 0.18
48 RPPRVRKNL 0.18
49 IPYRIRWNL 0.18
50 IPFRRRKNR 0.18
51 RPFRRRWNL 0.18
52 RPFRVRKNL 0.18
53 RPPRIRINL 0.18
54 RPPRRRKLL 0.18
55 IPPRRRKNR 0.19
56 RPPRRRWNL 0.19
57 KPYRRRKNL 0.19
58 IPPRIRWLL 0.19
59 KPFRVRKNL 0.2
60 IPYRVRKNL 0.2
61 KPFRIRINL 0.2
62 KPPRRRKLL 0.2
63 KPPRIRINL 0.2
64 KPFRRRKLL 0.2
65 RPFRIRKNR 0.2
66 KPPRVRKNL 0.2
67 KPFRRRWNL 0.2
68 IPYRRRWNL 0.21
69 IPFRVRKLL 0.21
70 IPFRIRILL 0.21
71 IPYRIRINL 0.21
72 IPPRRRKKL 0.21
73 IPFRRRKKL 0.21
74 IPYRRRKLL 0.21
75 RPFRRRINL 0.21
76 KPPRRRWNL 0.21
77 RPPRIRKNR 0.21
78 IPPRRRWLL 0.22
79 IPPRIRILL 0.22
80 IPFRRRWLL 0.22
81 IPPRVRKLL 0.22
82 RPPRRRINL 0.22
83 IPPRVRWNL 0.22
84 KPPRIRKNR 0.22
85 KPFRIRKNR 0.22
86 IPFRVRWNL 0.22
87 KPPRRRINL 0.23
88 RPFRIRKKL 0.23
89 RPPRIRKKL 0.23
90 IPYRIRKNR 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KPFRRRKNL

5.08

-14.66

-9.58
2 IPFRRRKNL

5.3

-14.78

-9.48
3 RPFRRRKNL

4.77

-13.84

-9.07
4 KPYRIRKNL

5.23

-13.41

-8.18
5 KPFRIRKNL

5.75

-13.63

-7.88
6 IPPRRRWNL

5.64

-13.51

-7.87
7 RPPRRRKNL

4.67

-12.48

-7.81
8 RPPRIRKNL

4.68

-12.21

-7.53
9 IPFRRRKLL

5.58

-12.96

-7.38
10 IPFRIRINL

6.11

-13.45

-7.34
11 IPPRRRKNL

5.37

-12.66

-7.29
12 KPPRRRKNL

4.29

-11.58

-7.29
13 IPFRIRWNL

6.13

-13.4

-7.27
14 IPFRRRWNL

5.48

-12.74

-7.26
15 KPPRIRKNL

4.98

-11.89

-6.91
16 IPYRRRKNL

5.73

-12.41

-6.68
17 IPPRVRKNL

5.19

-11.65

-6.46
18 RPFRIRKNL

5.22

-11.68

-6.46
19 IPPRIRKNL

5.14

-11.56

-6.42
20 IPFRIRKLL

6.35

-12.67

-6.32
21 RPPRIRKLL

4.68

-10.82

-6.14
22 IPPRIRKLL

5.38

-11.18

-5.8
23 IPPRIRWNL

5.38

-11.07

-5.69
24 RPYRIRKNL

5.61

-11.22

-5.61
25 IPYRIRKNL

5.45

-10.85

-5.4
26 IPPRIRINL

6.08

-11.3

-5.22
27 IPFRVRKNL

5.62

-10.56

-4.94
28 IPPRRRKLL

4.76

-9.7

-4.94
29 IPFRIRKNL

6.04

-10.84

-4.8
30 RPFRIRKLL

5.86

-10.6

-4.74

 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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