Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-9.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    

(Help)

Intraclash 1.034 ΔGbinding -0.812
TOTAL
 0.222
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.414
Van der Waals -3.440 Backbone clash 0.023
Electrostatics 0.714 Helix dipole 0.000
Solvation Polar 3.206 Water bridges 0.002
Solvation Hyd -5.215 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon 0.624
Entropy sc 0.356 Part.cov.bonds 0.000
Entropy mc

2.456

 ΔGstability

11.432
       

Predicted ligand sequences for model [BBC1_1ZUK2-9.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_1ZUK2-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPIRPKM 0.0
2 WRPIRPKM 0.11
3 RRPIRPKF 0.12
4 RRYIRPKM 0.14
5 RRPIRFKM 0.14
6 RRFIRPKM 0.14
7 RRPIRRKM 0.16
8 FRPIRPKM 0.2
9 WRPIRPKF 0.22
10 WRPIRFKM 0.24
11 WRFIRPKM 0.24
12 RRPIRFKF 0.25
13 RRFIRPKF 0.25
14 WRYIRPKM 0.25
15 RRYIRPKF 0.26
16 WRPIRRKM 0.27
17 RRFIRFKM 0.27
18 RRPIRRKF 0.28
19 RRYIRFKM 0.28
20 RRFIRRKM 0.3
21 RRYIRRKM 0.31
22 FRPIRPKF 0.31
23 FRFIRPKM 0.33
24 FRPIRFKM 0.33
25 FRYIRPKM 0.34
26 WRPIRFKF 0.36
27 FRPIRRKM 0.36
28 WRFIRPKF 0.36
29 WRYIRPKF 0.37
30 WRPIRRKF 0.38
31 WRFIRFKM 0.38
32 RRFIRFKF 0.39
33 WRYIRFKM 0.39
34 RRYIRFKF 0.4
35 WRFIRRKM 0.41
36 RRPVRPKM 0.41
37 RRFIRRKF 0.41
38 WRYIRRKM 0.41
39 RRYIRRKF 0.42
40 FRFIRPKF 0.45
41 FRPIRFKF 0.45
42 FRYIRPKF 0.46
43 FRPIRRKF 0.47
44 FRFIRFKM 0.47
45 FRYIRFKM 0.48
46 FRFIRRKM 0.49
47 FRYIRRKM 0.5
48 WRFIRFKF 0.5
49 WRYIRFKF 0.51
50 WRFIRRKF 0.52
51 WRPVRPKM 0.52
52 RRPVRPKF 0.53
53 WRYIRRKF 0.53
54 RRFVRPKM 0.55
55 RRPVRFKM 0.55
56 RRYVRPKM 0.56
57 RRPVRRKM 0.58
58 FRYIRFKF 0.59
59 FRFIRFKF 0.59
60 FRFIRRKF 0.61
61 FRPVRPKM 0.61
62 FRYIRRKF 0.62
63 WRPVRPKF 0.64
64 WRFVRPKM 0.66
65 WRPVRFKM 0.66
66 RRFVRPKF 0.67
67 RRPVRFKF 0.67
68 WRYVRPKM 0.67
69 RRYVRPKF 0.68
70 WRPVRRKM 0.68
71 RRPVRRKF 0.69
72 RRFVRFKM 0.69
73 RRYVRFKM 0.7
74 RRFVRRKM 0.71
75 RRYVRRKM 0.72
76 FRPVRPKF 0.73
77 FRFVRPKM 0.75
78 FRPVRFKM 0.75
79 FRYVRPKM 0.76
80 FRPVRRKM 0.77
81 WRFVRPKF 0.78
82 WRPVRFKF 0.78
83 WRYVRPKF 0.78
84 WRFVRFKM 0.8
85 WRYVRFKM 0.8
86 WRPVRRKF 0.8
87 RRFVRFKF 0.81
88 RRYVRFKF 0.81
89 WRFVRRKM 0.82
90 RRFVRRKF 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPIRPKM

2.02

-7.51

-5.49
2 RRYIRRKM

2.35

-7.66

-5.31
3 WRPIRRKF

2.7

-7.97

-5.27
4 WRYIRPKF

1.89

-7.09

-5.2
5 FRPIRPKF

1.95

-7.03

-5.08
6 WRPIRPKM

2.42

-7.47

-5.05
7 FRPIRFKM

2.84

-7.85

-5.01
8 RRFIRRKM

2.9

-7.8

-4.9
9 WRPIRRKM

2.98

-7.62

-4.64
10 RRFIRPKM

2.73

-7.35

-4.62
11 FRYIRPKM

2.84

-7.45

-4.61
12 RRPIRPKM

2.94

-7.52

-4.58
13 RRPIRRKF

2.82

-7.34

-4.52
14 RRYIRPKM

2.31

-6.81

-4.5
15 WRYIRPKM

2.71

-7.07

-4.36
16 RRYIRFKM

2.98

-7.34

-4.36
17 WRPIRFKM

2.8

-7.08

-4.28
18 RRYIRPKF

2.26

-6.54

-4.28
19 WRFIRPKF

2.65

-6.85

-4.2
20 FRFIRPKM

2.08

-6.18

-4.1
21 WRFIRPKM

2.77

-6.87

-4.1
22 FRPIRRKM

2.96

-6.98

-4.02
23 WRPIRPKF

3.52

-7.45

-3.93
24 WRPIRFKF

2.44

-6.37

-3.93
25 RRFIRFKM

3.35

-7.06

-3.71
26 RRPIRFKM

3.4

-6.95

-3.55
27 RRPIRRKM

3.51

-6.81

-3.3
28 RRPIRPKF

3.16

-6.26

-3.1
29 RRPIRFKF

2.44

-5.45

-3.01
30 RRFIRPKF

2.98

-5.73

-2.75

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER