Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-28.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 3.951 ΔGbinding 0.160
TOTAL
 4.111
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.463
Van der Waals -5.502 Backbone clash 0.117
Electrostatics 0.819 Helix dipole 0.000
Solvation Polar 6.203 Water bridges -0.001
Solvation Hyd -7.808 Disulfide 0.000
VdW clashes 3.952 Electrost. Kon 0.672
Entropy sc 0.802 Part.cov.bonds 0.000
Entropy mc

3.111

 ΔGstability

84.274
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-28.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).
 
  BZZ1-D1_G2B-ABO-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRERRRRRHK 0.0
2 MRERRKRRHK 0.02
3 FRERRRRRHK 0.02
4 MRPRRRRRHK 0.03
5 FRERRKRRHK 0.04
6 MRPRRKRRHK 0.05
7 FRPRRRRRHK 0.05
8 MRRRRRRRHK 0.06
9 MRRRRKRRHK 0.07
10 FRPRRKRRHK 0.07
11 FRRRRRRRHK 0.08
12 FRRRRKRRHK 0.09
13 MRERRPRRHK 0.12
14 FRERRPRRHK 0.14
15 MDERRRRRHK 0.14
16 MRPRRPRRHK 0.15
17 MDERRKRRHK 0.16
18 FDERRRRRHK 0.16
19 FRPRRPRRHK 0.17
20 MDPRRRRRHK 0.17
21 MRRRRPRRHK 0.17
22 FDERRKRRHK 0.18
23 MDPRRKRRHK 0.19
24 FDPRRRRRHK 0.19
25 KRERRRRRHK 0.19
26 MDRRRRRRHK 0.2
27 FRRRRPRRHK 0.2
28 MRERRRKRHK 0.2
29 FDPRRKRRHK 0.21
30 MDRRRKRRHK 0.21
31 KRERRKRRHK 0.21
32 FDRRRRRRHK 0.22
33 MRERRKKRHK 0.22
34 KRPRRRRRHK 0.22
35 FDRRRKRRHK 0.23
36 FRERRRKRHK 0.23
37 KRPRRKRRHK 0.24
38 FRERRKKRHK 0.24
39 MRPRRRKRHK 0.24
40 MRPRRKKRHK 0.25
41 KRRRRRRRHK 0.25
42 KRRRRKRRHK 0.26
43 MDERRPRRHK 0.26
44 FRPRRRKRHK 0.26
45 MRRRRRKRHK 0.26
46 FRPRRKKRHK 0.27
47 FDERRPRRHK 0.28
48 MRRRRKKRHK 0.28
49 FRRRRRKRHK 0.28
50 MDPRRPRRHK 0.29
51 FRRRRKKRHK 0.3
52 KRERRPRRHK 0.31
53 MDRRRPRRHK 0.31
54 FDPRRPRRHK 0.31
55 MRERRRRKHK 0.31
56 MRERRPKRHK 0.32
57 FRERRRRKHK 0.33
58 MRERRKRKHK 0.33
59 KDERRRRRHK 0.33
60 FDRRRPRRHK 0.34
61 FRERRPKRHK 0.34
62 MDERRRKRHK 0.34
63 MRPRRRRKHK 0.34
64 KRPRRPRRHK 0.34
65 FRERRKRKHK 0.35
66 KDERRKRRHK 0.35
67 MRPRRPKRHK 0.35
68 MRPRRKRKHK 0.36
69 MDERRKKRHK 0.36
70 KDPRRRRRHK 0.36
71 KRRRRPRRHK 0.36
72 FRPRRRRKHK 0.37
73 MRRRRRRKHK 0.37
74 FDERRRKRHK 0.37
75 MRRRRPKRHK 0.38
76 KDPRRKRRHK 0.38
77 MRRRRKRKHK 0.38
78 FRPRRPKRHK 0.38
79 FRPRRKRKHK 0.38
80 MDPRRRKRHK 0.38
81 FDERRKKRHK 0.38
82 MDPRRKKRHK 0.39
83 FRRRRRRKHK 0.39
84 KRERRRKRHK 0.39
85 KDRRRRRRHK 0.39
86 MDRRRRKRHK 0.4
87 KDRRRKRRHK 0.4
88 FRRRRPKRHK 0.4
89 FDPRRRKRHK 0.4
90 MRERRRRPHK 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDERRKRRHK

3.81

-13.93

-10.12
2 FDERRRRRHK

4.57

-14.26

-9.69
3 MRERRRRRHK

4.35

-13.83

-9.48
4 FDERRKRRHK

4.36

-13.63

-9.27
5 FDPRRKRRHK

4.06

-12.79

-8.73
6 MDPRRKRRHK

4.82

-13.33

-8.51
7 MDERRRRRHK

4.27

-12.65

-8.38
8 FRERRRRRHK

4.49

-12.51

-8.02
9 MRPRRRRRHK

4.94

-12.7

-7.76
10 MRPRRPRRHK

3.92

-11.39

-7.47
11 MDRRRKRRHK

4.76

-12.21

-7.45
12 MDRRRRRRHK

4.57

-11.96

-7.39
13 FRERRKRRHK

3.99

-11.33

-7.34
14 MRPRRKRRHK

3.88

-11.11

-7.23
15 FRPRRRRRHK

3.57

-10.7

-7.13
16 KRERRRRRHK

4.36

-11.48

-7.12
17 FRPRRPRRHK

3.74

-10.84

-7.1
18 FDPRRRRRHK

3.62

-10.7

-7.08
19 FRRRRRRRHK

3.59

-10.57

-6.98
20 MRERRRKRHK

3.88

-10.7

-6.82
21 MRERRPRRHK

3.57

-10.35

-6.78
22 FRERRPRRHK

5.62

-12.14

-6.52
23 MRRRRRRRHK

4.51

-10.8

-6.29
24 MRRRRKRRHK

4.15

-10.4

-6.25
25 MRERRKRRHK

4.53

-10.72

-6.19
26 FRPRRKRRHK

2.4

-8.49

-6.09
27 MDPRRRRRHK

4.03

-9.94

-5.91
28 FRRRRPRRHK

3.49

-9.25

-5.76
29 MRRRRPRRHK

5.08

-10.8

-5.72
30 FRRRRKRRHK

3.59

-9.08

-5.49

 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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