Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.985 ΔGbinding 1.477
TOTAL
 2.462
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.754
Van der Waals -3.545 Backbone clash 0.035
Electrostatics 0.271 Helix dipole 0.000
Solvation Polar 3.543 Water bridges 0.000
Solvation Hyd -5.311 Disulfide 0.000
VdW clashes 3.338 Electrost. Kon 0.299
Entropy sc 0.397 Part.cov.bonds 0.000
Entropy mc

1.731

 ΔGstability

14.611
       

Predicted ligand sequences for model [BBC1_1ZUK2-10.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_1ZUK2-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIGRRR 0.0
2 RPRPGRRR 0.01
3 RPKIGRRR 0.02
4 RPKPGRRR 0.03
5 RPRIGRRK 0.17
6 RPRPGRRK 0.18
7 RPKIGRRK 0.19
8 RPWIGRRR 0.19
9 RPRRGRRR 0.2
10 RPRIGWRR 0.2
11 RPKPGRRK 0.2
12 RPWPGRRR 0.2
13 RPKRGRRR 0.22
14 RPRPGWRR 0.22
15 RPRIGMRR 0.23
16 RPKIGWRR 0.23
17 RPKPGWRR 0.24
18 RPRPGMRR 0.25
19 RPKIGMRR 0.26
20 RPKPGMRR 0.27
21 RPWIGRRK 0.36
22 RPRRGRRK 0.37
23 RPRIGWRK 0.37
24 RPWPGRRK 0.37
25 RPRPGWRK 0.38
26 RPKRGRRK 0.39
27 RPKIGWRK 0.39
28 RPWRGRRR 0.39
29 RPRIGMRK 0.4
30 RPWIGWRR 0.4
31 RPKPGWRK 0.4
32 RPWPGWRR 0.41
33 RPRRGWRR 0.41
34 RPRPGMRK 0.41
35 RPKIGMRK 0.42
36 RPWIGMRR 0.43
37 RPKRGWRR 0.43
38 RPKPGMRK 0.43
39 RPRRGMRR 0.44
40 RPWPGMRR 0.44
41 RPKRGMRR 0.46
42 RPRIGRRH 0.46
43 RPRPGRRH 0.47
44 RPKIGRRH 0.48
45 RPRIGRKR 0.49
46 RPKPGRRH 0.49
47 RPRPGRKR 0.5
48 RPKIGRKR 0.51
49 RPKPGRKR 0.52
50 RPWIGWRK 0.56
51 RPWRGRRK 0.56
52 RPWPGWRK 0.57
53 RPRRGWRK 0.57
54 RPWIGMRK 0.59
55 RPKRGWRK 0.59
56 RPRRGMRK 0.6
57 RPWRGWRR 0.6
58 RPWPGMRK 0.6
59 RPKRGMRK 0.62
60 RPWRGMRR 0.63
61 RPWIGRRH 0.65
62 RPRIGRKK 0.65
63 RPRRGRRH 0.66
64 RPWPGRRH 0.66
65 RPRPGRKK 0.67
66 RPRIGWRH 0.67
67 RPWIGRKR 0.68
68 RPKRGRRH 0.68
69 RPRPGWRH 0.68
70 RPKIGRKK 0.68
71 RPRIGMRH 0.69
72 RPKPGRKK 0.69
73 RPWPGRKR 0.69
74 RPKIGWRH 0.69
75 RPRIGWKR 0.69
76 RPRRGRKR 0.69
77 RPRPGWKR 0.7
78 RPKPGWRH 0.7
79 RPKRGRKR 0.71
80 RPKIGWKR 0.71
81 RPRPGMRH 0.71
82 RPKIGMRH 0.72
83 RPRIGMKR 0.72
84 RPRPGMKR 0.73
85 RPKPGWKR 0.73
86 RPKPGMRH 0.73
87 RPKIGMKR 0.74
88 RPWRGWRK 0.76
89 RPKPGMKR 0.76
90 RPWRGMRK 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRIGRRR

2.25

-11.08

-8.83
2 RPRPGRRK

2.52

-10.44

-7.92
3 RPRPGRRR

2.17

-10.08

-7.91
4 RPRRGRRR

3.56

-11.05

-7.49
5 RPRPGMRR

1.89

-9.34

-7.45
6 RPKIGRRR

2.6

-9.98

-7.38
7 RPRIGRRK

2.49

-9.86

-7.37
8 RPWIGRRR

2.47

-9.72

-7.25
9 RPWIGRRK

2.13

-9.36

-7.23
10 RPWIGWRR

1.98

-9.14

-7.16
11 RPRIGWRR

2.1

-9.25

-7.15
12 RPWRGRRR

3.68

-10.81

-7.13
13 RPKPGRRR

2.4

-9.39

-6.99
14 RPKPGRRK

2.52

-9.42

-6.9
15 RPWPGRRR

2.51

-9.35

-6.84
16 RPRIGWRK

1.56

-8.31

-6.75
17 RPRRGRRK

3.88

-10.56

-6.68
18 RPKPGMRR

2.29

-8.89

-6.6
19 RPKPGWRR

2.08

-8.67

-6.59
20 RPRPGWRK

2.18

-8.76

-6.58
21 RPKRGRRR

3.93

-10.49

-6.56
22 RPWPGRRK

2.01

-8.55

-6.54
23 RPKRGRRK

3.53

-9.99

-6.46
24 RPRPGWRR

2.21

-8.49

-6.28
25 RPRIGMRK

2.06

-8.28

-6.22
26 RPKIGMRR

2.05

-8.17

-6.12
27 RPKIGRRK

2.77

-8.87

-6.1
28 RPKIGWRR

2.09

-8.15

-6.06
29 RPRIGMRR

2.43

-8.36

-5.93
30 RPKIGWRK

2.2

-7.78

-5.58

 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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