Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-29.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    

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Intraclash 0.957 ΔGbinding -3.561
TOTAL
 -2.604
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.389
Van der Waals -3.656 Backbone clash -0.000
Electrostatics 0.252 Helix dipole 0.000
Solvation Polar 3.449 Water bridges -0.003
Solvation Hyd -5.677 Disulfide 0.000
VdW clashes 0.036 Electrost. Kon 0.270
Entropy sc 0.517 Part.cov.bonds 0.000
Entropy mc

2.137

 ΔGstability

6.101
       

Predicted ligand sequences for model [BBC1_1ZUK3-29.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).
 
  BBC1_1ZUK3-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DLKPIPRRLR 0.0
2 ELKPIPRRLR 0.01
3 DLKWIPRRLR 0.02
4 ELKWIPRRLR 0.02
5 DLKRIPRRLR 0.02
6 ELKPIHRRLR 0.03
7 DLKPIHRRLR 0.03
8 ELKRIPRRLR 0.03
9 DLKWIHRRLR 0.04
10 DLKPIPRRMR 0.04
11 ELKWIHRRLR 0.05
12 ELKPIPRRMR 0.05
13 DLKRIHRRLR 0.05
14 DLKWIPRRMR 0.06
15 ELKRIHRRLR 0.06
16 DLKRIPRRMR 0.06
17 ELKRIPRRMR 0.07
18 ELKWIPRRMR 0.07
19 ELKPIPRRLH 0.07
20 DLKPIHRRMR 0.07
21 DLKPIPRRLH 0.07
22 RLKPIPRRLR 0.07
23 ELKPIHRRMR 0.08
24 DLKWIPRRLH 0.08
25 DLKRIHRRMR 0.09
26 ELKWIHRRMR 0.09
27 RLKRIPRRLR 0.09
28 DLKPWPRRLR 0.09
29 DLKWIHRRMR 0.09
30 DLKRIPRRLH 0.09
31 ELKWIPRRLH 0.09
32 ELKRIPRRLH 0.09
33 RLKWIPRRLR 0.09
34 ELKPWPRRLR 0.1
35 ELKRIHRRMR 0.1
36 ELKPIHRRLH 0.1
37 DLKPIHRRLH 0.1
38 ELKPIRRRLR 0.1
39 RLKPIHRRLR 0.1
40 DLKPIRRRLR 0.1
41 DLKWIRRRLR 0.11
42 DLKWIHRRLH 0.11
43 DLKPIPRRMH 0.11
44 DLKWWPRRLR 0.11
45 DLKRWPRRLR 0.11
46 RLKPIPRRMR 0.11
47 DLKPWHRRLR 0.12
48 ELKWIHRRLH 0.12
49 ELKPIPRRMH 0.12
50 ELKRIHRRLH 0.12
51 ELKWWPRRLR 0.12
52 DLKRIRRRLR 0.12
53 RLKWIHRRLR 0.12
54 ELKRWPRRLR 0.12
55 RLKRIHRRLR 0.12
56 ELKRIRRRLR 0.12
57 ELKWIRRRLR 0.12
58 DLKRIHRRLH 0.12
59 DLKWIPRRMH 0.13
60 ELKWIPRRMH 0.13
61 ELKPWHRRLR 0.13
62 DLKRIPRRMH 0.13
63 RLKWIPRRMR 0.13
64 ELKPWPRRMR 0.14
65 ELKWWHRRLR 0.14
66 ELKRIPRRMH 0.14
67 ELKPIHRRMH 0.14
68 RLKRIPRRMR 0.14
69 DLKPIHRRMH 0.14
70 ELKPIRRRMR 0.14
71 DLKPWPRRMR 0.14
72 DLKWWHRRLR 0.14
73 RLKPIHRRMR 0.14
74 RLKPIPRRLH 0.14
75 DLKRWHRRLR 0.14
76 DLKPIRRRMR 0.14
77 ELKRWHRRLR 0.15
78 DLKWIRRRMR 0.15
79 DLKWIHRRMH 0.15
80 DLKWWPRRMR 0.15
81 DLKRIHRRMH 0.16
82 DLKPWHRRMR 0.16
83 RLKWIHRRMR 0.16
84 ELKWWPRRMR 0.16
85 ELKWIHRRMH 0.16
86 ELKRWPRRMR 0.16
87 RLKRIPRRLH 0.16
88 DLKPWPRRLH 0.16
89 DLKRIRRRMR 0.16
90 RLKPWPRRLR 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DLKWIPRRMR

4.41

-20.03

-15.62
2 DLKPIHRRLR

4.19

-19.8

-15.61
3 ELKWIPRRMR

4.31

-19.06

-14.75
4 ELKPIPRRMR

4.0

-18.71

-14.71
5 DLKRIHRRMR

4.07

-18.75

-14.68
6 RLKPIPRRLR

4.43

-19.09

-14.66
7 ELKRIPRRMR

3.66

-18.24

-14.58
8 ELKPIHRRMR

4.4

-18.95

-14.55
9 DLKRIPRRMR

3.71

-18.05

-14.34
10 DLKPIPRRMR

3.93

-18.2

-14.27
11 DLKPIHRRMR

4.0

-18.17

-14.17
12 ELKWIHRRMR

3.93

-18.06

-14.13
13 DLKWIHRRMR

3.87

-17.74

-13.87
14 ELKPIHRRLR

4.34

-18.14

-13.8
15 ELKWIPRRLR

4.31

-18.01

-13.7
16 ELKRIHRRLR

4.41

-17.99

-13.58
17 DLKPWPRRLR

4.59

-18.06

-13.47
18 DLKPIPRRLH

4.16

-17.62

-13.46
19 ELKPIPRRLH

4.84

-18.19

-13.35
20 DLKWIPRRLR

4.27

-17.56

-13.29
21 DLKRIPRRLR

4.32

-17.55

-13.23
22 DLKRIPRRLH

5.07

-18.23

-13.16
23 ELKWIHRRLR

5.2

-18.34

-13.14
24 DLKWIPRRLH

4.81

-17.93

-13.12
25 DLKRIHRRLR

4.15

-17.16

-13.01
26 ELKPIPRRLR

4.46

-17.29

-12.83
27 RLKRIPRRLR

4.11

-16.88

-12.77
28 DLKWIHRRLR

4.73

-17.23

-12.5
29 ELKRIPRRLR

5.12

-17.54

-12.42
30 DLKPIPRRLR

4.23

-15.24

-11.01

 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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