Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-26.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 1.525 ΔGbinding -1.555
TOTAL
 -0.030
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.365
Van der Waals -3.239 Backbone clash -0.000
Electrostatics 0.659 Helix dipole 0.000
Solvation Polar 2.777 Water bridges -0.078
Solvation Hyd -5.131 Disulfide 0.000
VdW clashes 0.019 Electrost. Kon 0.780
Entropy sc 0.312 Part.cov.bonds 0.000
Entropy mc

1.982

 ΔGstability

10.812
       

Predicted ligand sequences for model [BBC1_1ZUK2-26.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_1ZUK2-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 IEMHRIHRR 0.0
2 IDMHRIHRR 0.0
3 IDMHKIHRR 0.01
4 IDMHRIHPR 0.02
5 IEMHKIHRR 0.02
6 IEMHRIHPR 0.03
7 IDMHKIHPR 0.04
8 IEMHKIHPR 0.04
9 LDMHRIHRR 0.06
10 LEMHRIHRR 0.07
11 IDIHRIHRR 0.08
12 LDMHKIHRR 0.08
13 IEIHRIHRR 0.08
14 LEMHKIHRR 0.08
15 FEMHRIHRR 0.09
16 FDMHRIHRR 0.09
17 LEMHRIHPR 0.09
18 LDMHRIHPR 0.09
19 IDIHKIHRR 0.09
20 IEIHKIHRR 0.09
21 LDMHKIHPR 0.1
22 FDMHKIHRR 0.1
23 LEMHKIHPR 0.1
24 IEIHRIHPR 0.1
25 FEMHKIHRR 0.1
26 IDIHRIHPR 0.1
27 IEIHKIHPR 0.11
28 FEMHRIHPR 0.11
29 FDMHRIHPR 0.11
30 IDIHKIHPR 0.11
31 IRMHRIHRR 0.12
32 FDMHKIHPR 0.12
33 FEMHKIHPR 0.13
34 IDMHHIHRR 0.13
35 IRMHKIHRR 0.13
36 LDIHRIHRR 0.14
37 LEIHRIHRR 0.14
38 IRMHRIHPR 0.14
39 IEMHHIHRR 0.14
40 IRMHKIHPR 0.15
41 LDIHKIHRR 0.15
42 IEMHHIHPR 0.16
43 IDMHHIHPR 0.16
44 LEIHKIHRR 0.16
45 LDIHRIHPR 0.16
46 FDIHRIHRR 0.16
47 FEIHRIHRR 0.17
48 FDIHKIHRR 0.17
49 LEIHRIHPR 0.17
50 LEIHKIHPR 0.18
51 LRMHRIHRR 0.18
52 LDIHKIHPR 0.18
53 FEIHKIHRR 0.18
54 LRMHKIHRR 0.19
55 FDIHRIHPR 0.19
56 IRIHRIHRR 0.19
57 FEIHRIHPR 0.19
58 FEIHKIHPR 0.2
59 FDIHKIHPR 0.2
60 LEMHHIHRR 0.2
61 IRIHKIHRR 0.2
62 LRMHRIHPR 0.2
63 LDMHHIHRR 0.2
64 FRMHRIHRR 0.2
65 IDIHHIHRR 0.21
66 IEIHHIHRR 0.21
67 LRMHKIHPR 0.21
68 IRIHRIHPR 0.21
69 LEMHHIHPR 0.22
70 LDMHHIHPR 0.22
71 FRMHKIHRR 0.22
72 FDMHHIHRR 0.22
73 FEMHHIHRR 0.22
74 IRIHKIHPR 0.23
75 FRMHRIHPR 0.23
76 IDIHHIHPR 0.23
77 IDKHRIHRR 0.23
78 IEKHRIHRR 0.23
79 FDMHHIHPR 0.24
80 IEKHKIHRR 0.24
81 IEIHHIHPR 0.24
82 FRMHKIHPR 0.24
83 IDKHKIHRR 0.24
84 IDKHRIHPR 0.25
85 IEKHRIHPR 0.25
86 FEMHHIHPR 0.25
87 IRMHHIHRR 0.25
88 IDKHKIHPR 0.26
89 LRIHRIHRR 0.26
90 IRMHHIHPR 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LEMHRIHRR

2.53

-10.79

-8.26
2 LDMHRIHRR

3.25

-11.23

-7.98
3 IDMHKIHRR

4.13

-11.93

-7.8
4 IDMHKIHPR

2.66

-10.05

-7.39
5 LEMHKIHRR

3.26

-10.57

-7.31
6 FEMHRIHRR

2.95

-10.09

-7.14
7 FDMHRIHPR

3.51

-10.59

-7.08
8 IEMHRIHPR

2.84

-9.61

-6.77
9 IEMHRIHRR

2.83

-9.47

-6.64
10 LDMHKIHRR

4.3

-10.9

-6.6
11 IEMHKIHRR

2.38

-8.97

-6.59
12 IDMHRIHRR

3.96

-10.51

-6.55
13 FDMHRIHRR

3.51

-10.01

-6.5
14 LEMHRIHPR

3.41

-9.75

-6.34
15 LEMHKIHPR

3.96

-10.0

-6.04
16 IDMHRIHPR

3.72

-9.61

-5.89
17 FDMHKIHRR

3.53

-9.34

-5.81
18 LDMHRIHPR

3.41

-9.07

-5.66
19 IDIHKIHRR

3.29

-8.9

-5.61
20 IEMHKIHPR

3.72

-9.29

-5.57
21 IEIHKIHRR

3.59

-9.04

-5.45
22 LDMHKIHPR

4.3

-9.69

-5.39
23 IEIHRIHPR

3.25

-8.61

-5.36
24 FEMHRIHPR

4.09

-9.33

-5.24
25 IDIHKIHPR

3.64

-8.84

-5.2
26 IEIHKIHPR

4.89

-9.59

-4.7
27 IDIHRIHPR

4.0

-8.68

-4.68
28 FEMHKIHRR

3.44

-7.54

-4.1
29 IEIHRIHRR

4.28

-8.27

-3.99
30 IDIHRIHRR

4.57

-7.74

-3.17

 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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