Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-2.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    

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Intraclash 16.742 ΔGbinding 3.150
TOTAL
 19.892
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.003
Van der Waals -5.171 Backbone clash 0.153
Electrostatics -0.192 Helix dipole 0.000
Solvation Polar 5.020 Water bridges 0.000
Solvation Hyd -7.567 Disulfide 0.000
VdW clashes 7.882 Electrost. Kon -0.192
Entropy sc 0.964 Part.cov.bonds 0.000
Entropy mc

2.678

 ΔGstability

62.580
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-2.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-LCK-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRKRRFRDRR 0.0
2 IRRRRFRDRR 0.0
3 IRKRRFRDRP 0.02
4 IRRRRFRDRP 0.02
5 IRKRRFRDRH 0.06
6 IRRRRFRDRH 0.06
7 IRRRKFRDRR 0.07
8 IRKRKFRDRR 0.08
9 IRKRKFRDRP 0.09
10 IRRRKFRDRP 0.09
11 IRERRFRDRR 0.09
12 IRRRRFRWRR 0.11
13 IRERRFRDRP 0.11
14 IRKRRFRWRR 0.12
15 IRKRRFRWRP 0.13
16 IRRRRFRWRP 0.13
17 IRRRRPRDRR 0.13
18 IRRRKFRDRH 0.13
19 IRKRRPRDRR 0.14
20 IRKRKFRDRH 0.14
21 IRRRRPRDRP 0.15
22 IRKRRPRDRP 0.15
23 IRERRFRDRH 0.15
24 IRERKFRDRR 0.16
25 IRKRRFRWRH 0.17
26 IRRRRFRWRH 0.17
27 IRERKFRDRP 0.18
28 IRRRKFRWRR 0.18
29 IRRRRPRDRH 0.19
30 IRKRKFRWRR 0.19
31 IRRHRFRDRR 0.2
32 IRERRFRWRR 0.2
33 IRKRRPRDRH 0.2
34 IRKHRFRDRR 0.2
35 IRRRKFRWRP 0.2
36 IRKRKPRDRR 0.21
37 IRRRKPRDRR 0.21
38 IRKRKFRWRP 0.21
39 IRRRPFRDRR 0.22
40 IRRHRFRDRP 0.22
41 IRRRKPRDRP 0.22
42 IRERKFRDRH 0.22
43 IRERRPRDRR 0.22
44 IRERRFRWRP 0.22
45 IRKHRFRDRP 0.22
46 IRKRKPRDRP 0.23
47 IRKRPFRDRR 0.23
48 IRRRRPRWRR 0.24
49 IRRRPFRDRP 0.24
50 IRKRPFRDRP 0.24
51 IRERRPRDRP 0.24
52 IRRRKFRWRH 0.24
53 IRKRRPRWRR 0.25
54 IRKRKFRWRH 0.25
55 IRRHRFRDRH 0.26
56 IRKRRPRWRP 0.26
57 IRRRRPRWRP 0.26
58 IRERRFRWRH 0.26
59 IRKHRFRDRH 0.26
60 IRRHKFRDRR 0.27
61 IRKRKPRDRH 0.27
62 IRRRKPRDRH 0.27
63 IRRRPFRDRH 0.28
64 IRERKFRWRR 0.28
65 IRERRPRDRH 0.28
66 IRKHKFRDRR 0.28
67 IRRHKFRDRP 0.29
68 IRERKFRWRP 0.29
69 IREHRFRDRR 0.29
70 IRKRPFRDRH 0.29
71 IRKHKFRDRP 0.29
72 IRRRRPRWRH 0.3
73 IRERKPRDRR 0.3
74 IRRRRFRPRR 0.3
75 IRKRRFRPRR 0.3
76 IRKRRPRWRH 0.31
77 IRERKPRDRP 0.31
78 IREHRFRDRP 0.31
79 IRRRRFRPRP 0.31
80 IRRHRFRWRR 0.31
81 IRKHRFRWRR 0.31
82 IRKRKPRWRR 0.32
83 IRRRKPRWRR 0.32
84 IRKRRFRPRP 0.32
85 IRERPFRDRR 0.32
86 IRERPFRDRP 0.33
87 IRERKFRWRH 0.33
88 IRRHKFRDRH 0.33
89 IRRHRFRWRP 0.33
90 IRRRKPRWRP 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IRRRRPRDRP

7.81

-4.98

2.83
2 IRRRRFRDRP

8.96

-5.89

3.07
3 IRRRKFRDRP

9.21

-6.03

3.18
4 IRRRRFRWRH

10.73

-6.89

3.84
5 IRRRRPRDRH

8.18

-3.97

4.21
6 IRERRFRDRR

10.46

-6.2

4.26
7 IRKRRFRWRR

11.98

-7.58

4.4
8 IRRRRFRDRR

10.49

-6.03

4.46
9 IRRRKFRDRR

9.44

-4.89

4.55
10 IRKRRFRDRH

9.96

-5.12

4.84
11 IRKRRFRDRP

9.38

-4.51

4.87
12 IRKRKFRWRR

10.28

-5.36

4.92
13 IRRRRFRWRP

10.25

-5.3

4.95
14 IRERRFRDRP

9.31

-4.33

4.98
15 IRKRKFRDRP

11.41

-6.2

5.21
16 IRKRRFRWRH

10.21

-4.94

5.27
17 IRRRKFRDRH

10.16

-4.87

5.29
18 IRRRRFRDRH

10.6

-5.29

5.31
19 IRKRRPRDRP

8.96

-3.63

5.33
20 IRERRFRDRH

9.62

-4.17

5.45
21 IRERKFRDRP

10.47

-4.85

5.62
22 IRERKFRDRR

9.78

-4.11

5.67
23 IRRRRFRWRR

10.77

-5.1

5.67
24 IRKRRPRDRR

9.06

-3.37

5.69
25 IRRRKFRWRR

10.64

-4.94

5.7
26 IRKRRFRDRR

10.68

-4.67

6.01
27 IRKRRFRWRP

10.77

-4.74

6.03
28 IRRRRPRDRR

9.46

-3.42

6.04
29 IRKRKFRDRH

10.6

-2.77

7.83
30 IRKRKFRDRR

11.41

-3.56

7.85

 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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