Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-5.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 4.304 ΔGbinding 6.004
TOTAL
 10.308
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 2.031
Van der Waals -5.722 Backbone clash 0.857
Electrostatics -0.223 Helix dipole 0.000
Solvation Polar 6.145 Water bridges -0.048
Solvation Hyd -8.025 Disulfide 0.000
VdW clashes 10.304 Electrost. Kon -0.344
Entropy sc 1.035 Part.cov.bonds 0.000
Entropy mc

2.126

 ΔGstability

95.587
       

Predicted ligand sequences for model [BZZ1-D1_2A28-5.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_2A28-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRYRWTEDPF 0.0
2 RRYRWTEDPF 0.0
3 FRYRWTEEPF 0.03
4 RRYRWTEEPF 0.03
5 FRRRWTEDPF 0.04
6 RRRRWTEDPF 0.04
7 RRRRWTEEPF 0.07
8 FRRRWTEEPF 0.07
9 FRYRWTEPPF 0.08
10 RRYRWTEPPF 0.08
11 FRRRWTEPPF 0.12
12 RRRRWTEPPF 0.12
13 FRYRWREDPF 0.23
14 RRYRMTEDPF 0.23
15 RRYRWREDPF 0.23
16 FRYRMTEDPF 0.23
17 RRYRWREEPF 0.26
18 RRYRMTEEPF 0.26
19 FRYRMTEEPF 0.26
20 FRYRWREEPF 0.26
21 RRRRMTEDPF 0.27
22 RRRRWREDPF 0.27
23 FRRRMTEDPF 0.27
24 FRRRWREDPF 0.27
25 RRYRWHEDPF 0.28
26 FRYRWHEDPF 0.28
27 FRYRPTEDPF 0.28
28 RRYRPTEDPF 0.29
29 RRYRMTEPPF 0.3
30 RRYRWREPPF 0.3
31 FRYRWREPPF 0.3
32 RRRRMTEEPF 0.3
33 FRYRMTEPPF 0.3
34 RRRRWREEPF 0.3
35 FRRRMTEEPF 0.3
36 FRRRWREEPF 0.3
37 RRYRWHEEPF 0.31
38 FRYRWHEEPF 0.31
39 RRYRPTEEPF 0.32
40 FRRRWHEDPF 0.32
41 FRYRPTEEPF 0.32
42 RRRRWHEDPF 0.32
43 RRRRPTEDPF 0.33
44 FRRRPTEDPF 0.33
45 RRRRMTEPPF 0.34
46 FRRRMTEPPF 0.34
47 FRRRWREPPF 0.35
48 WRYRWTEDPF 0.35
49 RRRRWHEEPF 0.35
50 RRRRWREPPF 0.35
51 FRRRWHEEPF 0.35
52 RRRRPTEEPF 0.36
53 RRYRWHEPPF 0.36
54 RRYRPTEPPF 0.36
55 FRRRPTEEPF 0.36
56 FRYRWHEPPF 0.36
57 FRYRPTEPPF 0.36
58 WRYRWTEEPF 0.38
59 WRRRWTEDPF 0.39
60 RRRRWHEPPF 0.4
61 FRRRWHEPPF 0.4
62 FRRRPTEPPF 0.4
63 RRRRPTEPPF 0.4
64 WRRRWTEEPF 0.42
65 WRYRWTEPPF 0.42
66 RRYRMREDPF 0.45
67 FRYRMREDPF 0.45
68 WRRRWTEPPF 0.47
69 FRYRMREEPF 0.48
70 RRYRMREEPF 0.49
71 RRRRMREDPF 0.5
72 FRRRMREDPF 0.5
73 RRYRPREDPF 0.51
74 RRYRMHEDPF 0.51
75 FRYRMHEDPF 0.51
76 FRYRPREDPF 0.51
77 FRYRMREPPF 0.53
78 FRRRMREEPF 0.53
79 RRRRMREEPF 0.53
80 RRYRMREPPF 0.53
81 RRYRMHEEPF 0.54
82 FRYRMHEEPF 0.54
83 RRYRPREEPF 0.54
84 FRYRPREEPF 0.54
85 FRRRPREDPF 0.55
86 FRRRMHEDPF 0.55
87 RRRRMHEDPF 0.55
88 RRRRPREDPF 0.56
89 WRYRMTEDPF 0.57
90 FRYRPHEDPF 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRYRWREDPF

6.55

-9.71

-3.16
2 FRRRWTEPPF

4.66

-7.28

-2.62
3 FRRRMTEDPF

4.73

-7.19

-2.46
4 FRRRWREDPF

6.39

-8.2

-1.81
5 RRYRWHEDPF

3.7

-5.44

-1.74
6 FRRRWTEDPF

4.83

-6.57

-1.74
7 RRYRMTEEPF

3.2

-4.91

-1.71
8 RRRRWREDPF

5.77

-7.37

-1.6
9 RRYRMTEPPF

3.61

-5.08

-1.47
10 FRRRWTEEPF

4.67

-6.13

-1.46
11 FRYRWTEDPF

4.85

-6.29

-1.44
12 RRRRWTEDPF

4.01

-5.35

-1.34
13 FRYRWTEEPF

4.65

-5.95

-1.3
14 RRYRWTEEPF

3.73

-4.95

-1.22
15 RRRRMTEDPF

3.89

-5.09

-1.2
16 RRYRPTEDPF

3.37

-4.44

-1.07
17 RRYRWTEPPF

3.74

-4.79

-1.05
18 FRYRWREEPF

6.53

-7.39

-0.86
19 RRYRWREPPF

5.38

-6.21

-0.83
20 FRYRPTEDPF

4.58

-5.4

-0.82
21 RRRRWTEEPF

3.69

-4.4

-0.71
22 RRYRWTEDPF

3.72

-4.41

-0.69
23 RRYRMTEDPF

3.97

-4.44

-0.47
24 FRYRWHEDPF

4.79

-5.05

-0.26
25 FRYRMTEEPF

4.51

-4.57

-0.06
26 FRYRWTEPPF

4.21

-4.27

-0.06
27 RRRRWTEPPF

3.91

-3.84

0.07
28 RRYRWREDPF

5.27

-4.9

0.37
29 FRYRMTEDPF

4.63

-4.09

0.54
30 RRYRWREEPF

6.18

-4.92

1.26

 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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