Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-18.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
G
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 0.583 ΔGbinding 9.057
TOTAL
 9.640
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.377
Van der Waals -3.763 Backbone clash 1.167
Electrostatics 0.382 Helix dipole 0.000
Solvation Polar 4.708 Water bridges -0.025
Solvation Hyd -5.553 Disulfide 0.000
VdW clashes 6.815 Electrost. Kon 0.524
Entropy sc 1.488 Part.cov.bonds 0.000
Entropy mc

5.879

 ΔGstability

18.094
       

Predicted ligand sequences for model [BBC1_1TG0-18.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_1TG0-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFISNRRGR 0.0
2 WPFISNRRGR 0.1
3 FPFISNRRGR 0.1
4 RPFLSNRRGR 0.14
5 FPFLSNRRGR 0.23
6 WPFLSNRRGR 0.23
7 RPFKSNRRGR 0.35
8 RPFINNRRGR 0.41
9 RPFMSNRRGR 0.43
10 WPFKSNRRGR 0.44
11 FPFKSNRRGR 0.45
12 WPFINNRRGR 0.5
13 FPFINNRRGR 0.5
14 WPFMSNRRGR 0.53
15 FPFMSNRRGR 0.53
16 RPFLNNRRGR 0.54
17 RRFISNRRGR 0.54
18 YPFISNRRGR 0.59
19 RPFISNRRGK 0.59
20 WRFISNRRGR 0.64
21 FRFISNRRGR 0.64
22 WPFLNNRRGR 0.64
23 FPFLNNRRGR 0.64
24 RRFLSNRRGR 0.68
25 WPFISNRRGK 0.68
26 FPFISNRRGK 0.69
27 RPFLSNRRGK 0.72
28 YPFLSNRRGR 0.73
29 RPFKNNRRGR 0.75
30 WRFLSNRRGR 0.78
31 FRFLSNRRGR 0.78
32 FPFLSNRRGK 0.82
33 WPFLSNRRGK 0.82
34 RPFMNNRRGR 0.84
35 WPFKNNRRGR 0.85
36 FPFKNNRRGR 0.85
37 RRFKSNRRGR 0.89
38 YPFKSNRRGR 0.94
39 RPFKSNRRGK 0.94
40 FPFMNNRRGR 0.94
41 WPFMNNRRGR 0.94
42 RRFINNRRGR 0.95
43 RRFMSNRRGR 0.98
44 FRFKSNRRGR 0.99
45 WRFKSNRRGR 0.99
46 RPFINNRRGK 0.99
47 YPFINNRRGR 1.0
48 RPFMSNRRGK 1.02
49 WPFKSNRRGK 1.03
50 YPFMSNRRGR 1.03
51 FPFKSNRRGK 1.03
52 WRFINNRRGR 1.05
53 FRFINNRRGR 1.05
54 FRFMSNRRGR 1.08
55 RRFLNNRRGR 1.08
56 WRFMSNRRGR 1.08
57 WPFINNRRGK 1.09
58 FPFINNRRGK 1.09
59 WPFMSNRRGK 1.12
60 FPFMSNRRGK 1.12
61 RPFLNNRRGK 1.13
62 RRFISNRRGK 1.13
63 YPFLNNRRGR 1.13
64 YRFISNRRGR 1.14
65 WRFLNNRRGR 1.18
66 FRFLNNRRGR 1.18
67 YPFISNRRGK 1.18
68 WRFISNRRGK 1.23
69 FRFISNRRGK 1.23
70 FPFLNNRRGK 1.23
71 WPFLNNRRGK 1.23
72 RRFLSNRRGK 1.27
73 YRFLSNRRGR 1.27
74 RRFKNNRRGR 1.3
75 YPFLSNRRGK 1.31
76 YPFKNNRRGR 1.34
77 RPFKNNRRGK 1.34
78 WRFLSNRRGK 1.36
79 FRFLSNRRGK 1.37
80 RRFMNNRRGR 1.38
81 WRFKNNRRGR 1.39
82 FRFKNNRRGR 1.4
83 RPFMNNRRGK 1.43
84 YPFMNNRRGR 1.43
85 WPFKNNRRGK 1.44
86 FPFKNNRRGK 1.44
87 WRFMNNRRGR 1.48
88 YRFKSNRRGR 1.48
89 RRFKSNRRGK 1.48
90 FRFMNNRRGR 1.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPFKSNRRGR

2.65

-9.17

-6.52
2 FPFMSNRRGR

2.82

-9.29

-6.47
3 FPFINNRRGR

3.14

-9.6

-6.46
4 FPFLNNRRGR

2.9

-9.23

-6.33
5 WPFLSNRRGR

2.92

-9.17

-6.25
6 WPFMSNRRGR

2.77

-9.01

-6.24
7 RPFLSNRRGK

2.52

-8.68

-6.16
8 WPFISNRRGR

2.47

-8.59

-6.12
9 RPFMSNRRGR

3.11

-9.18

-6.07
10 RPFLNNRRGR

3.07

-9.08

-6.01
11 FPFISNRRGK

2.83

-8.8

-5.97
12 FPFISNRRGR

3.1

-9.01

-5.91
13 RPFKNNRRGR

2.97

-8.82

-5.85
14 YPFLSNRRGR

2.56

-8.31

-5.75
15 WPFLNNRRGR

2.93

-8.57

-5.64
16 RPFKSNRRGR

2.86

-8.39

-5.53
17 RPFLSNRRGR

2.55

-8.02

-5.47
18 WPFKSNRRGR

2.67

-8.13

-5.46
19 WRFISNRRGR

2.79

-8.05

-5.26
20 YPFISNRRGR

2.7

-7.91

-5.21
21 FRFISNRRGR

3.09

-8.21

-5.12
22 WPFINNRRGR

2.66

-7.69

-5.03
23 FPFLSNRRGR

2.96

-7.91

-4.95
24 RPFINNRRGR

4.25

-8.98

-4.73
25 RPFISNRRGK

2.66

-7.29

-4.63
26 WPFISNRRGK

2.7

-7.24

-4.54
27 RPFISNRRGR

2.71

-6.96

-4.25
28 RRFLSNRRGR

2.91

-6.75

-3.84
29 RRFISNRRGR

3.23

-6.68

-3.45
30 WRFLSNRRGR

3.31

-6.22

-2.91

 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