Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-19.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
G
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 1.526 ΔGbinding 3.170
TOTAL
 4.696
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.169
Van der Waals -4.611 Backbone clash 0.001
Electrostatics 0.738 Helix dipole 0.000
Solvation Polar 4.243 Water bridges -0.001
Solvation Hyd -7.311 Disulfide 0.000
VdW clashes 4.012 Electrost. Kon 0.899
Entropy sc 0.660 Part.cov.bonds 0.000
Entropy mc

4.375

 ΔGstability

19.712
       

Predicted ligand sequences for model [BBC1_1ZUK2-19.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_1ZUK2-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRHPSGWKK 0.0
2 WRHPSGWRK 0.0
3 WRIPSGWKK 0.0
4 WRIPSGWRK 0.01
5 WRFPSGWRK 0.04
6 WRFPSGWKK 0.04
7 WRVPSGWKK 0.06
8 WRVPSGWRK 0.07
9 WRIPSGWMK 0.14
10 WRHPSGWMK 0.14
11 WRHPSGWKF 0.15
12 WRHPSGWRF 0.16
13 WRIPSGWKF 0.16
14 WRIPSGWRF 0.16
15 WRFPSGWMK 0.18
16 WRVPSGWMK 0.2
17 WRFPSGWKF 0.2
18 WRFPSGWRF 0.2
19 WRVPSGWKF 0.22
20 WRVPSGWRF 0.22
21 WRHPSGWNK 0.26
22 WRHPHGWKK 0.27
23 WRHPHGWRK 0.27
24 WRIPSGWNK 0.27
25 WRIPHGWRK 0.28
26 WRIPHGWKK 0.28
27 WRIPSGWMF 0.29
28 WRHPSGWMF 0.29
29 WRFPSGWNK 0.31
30 WRFPHGWRK 0.32
31 WRFPHGWKK 0.32
32 WRVPSGWNK 0.33
33 WRFPSGWMF 0.33
34 WRVPHGWKK 0.34
35 WRVPHGWRK 0.34
36 WRVPSGWMF 0.35
37 WRIPSGRKK 0.38
38 WRHPSGRRK 0.38
39 WRHPSGRKK 0.38
40 WRIPSGRRK 0.39
41 WRIPHGWMK 0.41
42 WRHPHGWMK 0.41
43 WRFPSGRRK 0.42
44 WRHPSGWNF 0.42
45 WRFPSGRKK 0.42
46 WRIPSGWNF 0.42
47 WRIPHGWRF 0.43
48 WRIPHGWKF 0.43
49 WRHPHGWKF 0.43
50 WRHPHGWRF 0.43
51 WRVPSGRKK 0.44
52 WRVPSGRRK 0.45
53 WRFPHGWMK 0.45
54 WRFPSGWNF 0.46
55 WRFPHGWRF 0.47
56 WRFPHGWKF 0.47
57 WRVPHGWMK 0.47
58 WRVPSGWNF 0.48
59 WRVPHGWKF 0.49
60 WRVPHGWRF 0.49
61 WRIPSGRMK 0.52
62 WRHPSGRMK 0.52
63 WRHPHGWNK 0.53
64 WRIPSGRRF 0.54
65 WRIPSGRKF 0.54
66 WRHPSGRRF 0.54
67 WRHPSGRKF 0.54
68 WRIPHGWNK 0.54
69 WRHPHGWMF 0.56
70 WRFPSGRMK 0.56
71 WRIPHGWMF 0.57
72 WRFPSGRRF 0.58
73 WRFPSGRKF 0.58
74 WRVPSGRMK 0.58
75 WRFPHGWNK 0.58
76 WRVPSGRRF 0.6
77 WRVPSGRKF 0.6
78 WRFPHGWMF 0.6
79 WRVPHGWNK 0.6
80 WRVPHGWMF 0.62
81 WRHPSGRNK 0.64
82 WRHPHGRRK 0.65
83 WRHPHGRKK 0.65
84 WRIPSGRNK 0.65
85 WRIPHGRKK 0.66
86 WRIPHGRRK 0.66
87 WRIPSGRMF 0.67
88 WRHPSGRMF 0.67
89 WRFPSGRNK 0.69
90 WRHPHGWNF 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRIPHGWKK

2.72

-7.08

-4.36
2 WRVPSGWRF

3.28

-7.12

-3.84
3 WRFPSGWRF

2.82

-6.51

-3.69
4 WRHPSGWRF

3.45

-6.98

-3.53
5 WRHPSGWRK

2.84

-6.13

-3.29
6 WRIPSGWMF

2.72

-5.81

-3.09
7 WRVPSGWRK

3.34

-6.34

-3.0
8 WRHPSGWNK

3.28

-6.2

-2.92
9 WRIPHGWRK

2.83

-5.69

-2.86
10 WRFPSGWKK

2.32

-5.17

-2.85
11 WRHPSGWKF

3.16

-6.01

-2.85
12 WRVPSGWKF

3.51

-6.3

-2.79
13 WRIPSGWKF

2.84

-5.49

-2.65
14 WRIPSGWRK

3.0

-5.63

-2.63
15 WRFPHGWRK

3.06

-5.67

-2.61
16 WRVPSGWKK

2.69

-5.01

-2.32
17 WRIPSGWNK

2.55

-4.83

-2.28
18 WRIPSGWMK

2.6

-4.88

-2.28
19 WRIPSGWKK

2.77

-4.92

-2.15
20 WRIPSGWRF

3.48

-5.58

-2.1
21 WRFPSGWMK

3.18

-5.25

-2.07
22 WRHPSGWKK

3.23

-5.21

-1.98
23 WRFPSGWKF

3.38

-5.33

-1.95
24 WRFPSGWRK

2.9

-4.76

-1.86
25 WRHPSGWMK

2.97

-4.82

-1.85
26 WRFPSGWNK

2.41

-4.24

-1.83
27 WRHPHGWRK

2.65

-4.44

-1.79
28 WRHPHGWKK

2.78

-4.43

-1.65
29 WRVPSGWMK

2.88

-4.28

-1.4
30 WRHPSGWMF

3.12

-4.04

-0.92

 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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