Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-29.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 0.782 ΔGbinding -2.958
TOTAL
 -2.176
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.358
Van der Waals -3.236 Backbone clash 0.000
Electrostatics 0.235 Helix dipole 0.000
Solvation Polar 3.030 Water bridges -0.090
Solvation Hyd -5.035 Disulfide 0.000
VdW clashes 0.016 Electrost. Kon 0.254
Entropy sc 0.522 Part.cov.bonds 0.000
Entropy mc

2.262

 ΔGstability

7.114
       

Predicted ligand sequences for model [BBC1_1TG0-29.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_1TG0-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLKPIRPRRW 0.0
2 DLKPIRPRRW 0.02
3 RMKPIRPRRW 0.02
4 RLKPIRPRRR 0.02
5 RLKPIRPRRH 0.03
6 ELKPIRPRRW 0.03
7 DLKPIRPRRR 0.04
8 RNKPIRPRRW 0.04
9 RMKPIRPRRR 0.04
10 DMKPIRPRRW 0.04
11 DLKPIRPRRH 0.05
12 ELKPIRPRRR 0.05
13 RLKWIRPRRW 0.05
14 RMKPIRPRRH 0.05
15 EMKPIRPRRW 0.05
16 ELKPIRPRRH 0.06
17 RNKPIRPRRR 0.06
18 DNKPIRPRRW 0.06
19 DMKPIRPRRR 0.06
20 RLKWIRPRRR 0.07
21 ENKPIRPRRW 0.07
22 RNKPIRPRRH 0.07
23 RMKWIRPRRW 0.07
24 DLKWIRPRRW 0.07
25 EMKPIRPRRR 0.07
26 DMKPIRPRRH 0.07
27 ELKWIRPRRW 0.08
28 RLKWIRPRRH 0.08
29 RMKWIRPRRR 0.08
30 DNKPIRPRRR 0.08
31 EMKPIRPRRH 0.08
32 ENKPIRPRRR 0.09
33 DMKWIRPRRW 0.09
34 RNKWIRPRRW 0.09
35 DNKPIRPRRH 0.09
36 DLKWIRPRRR 0.09
37 ELKWIRPRRR 0.1
38 EMKWIRPRRW 0.1
39 ENKPIRPRRH 0.1
40 RMKWIRPRRH 0.1
41 RNKWIRPRRR 0.1
42 DLKWIRPRRH 0.1
43 ELKWIRPRRH 0.11
44 DNKWIRPRRW 0.11
45 DMKWIRPRRR 0.11
46 EMKWIRPRRR 0.12
47 DMKWIRPRRH 0.12
48 ENKWIRPRRW 0.12
49 RNKWIRPRRH 0.12
50 EMKWIRPRRH 0.13
51 DNKWIRPRRR 0.13
52 DNKWIRPRRH 0.14
53 ENKWIRPRRR 0.14
54 RLKMIRPRRW 0.14
55 RLKPIRKRRW 0.15
56 RMKMIRPRRW 0.15
57 ENKWIRPRRH 0.15
58 RLKMIRPRRR 0.15
59 RLKPIRHRRW 0.15
60 DLKMIRPRRW 0.16
61 DLKPIRKRRW 0.17
62 DMKMIRPRRW 0.17
63 RLKPRRPRRW 0.17
64 RMKPIRKRRW 0.17
65 RLKPIRKRRR 0.17
66 RMKMIRPRRR 0.17
67 RLKMIRPRRH 0.17
68 RNKMIRPRRW 0.17
69 ELKMIRPRRW 0.17
70 RMKPIRHRRW 0.17
71 DLKMIRPRRR 0.17
72 RLKPIRHRRR 0.17
73 RLKPRRPRRR 0.18
74 RLKPIRKRRH 0.18
75 RMKMIRPRRH 0.18
76 RMKPRRPRRW 0.18
77 ELKPIRKRRW 0.18
78 EMKMIRPRRW 0.18
79 DLKPIRHRRW 0.18
80 ELKMIRPRRR 0.18
81 DLKPIRKRRR 0.19
82 DMKMIRPRRR 0.19
83 RMKPIRKRRR 0.19
84 DMKPIRKRRW 0.19
85 RNKMIRPRRR 0.19
86 RNKPIRKRRW 0.19
87 DLKPIRHRRR 0.19
88 RMKPIRHRRR 0.19
89 DLKPRRPRRW 0.19
90 ELKPIRHRRW 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DMKPIRPRRR

2.47

-14.19

-11.72
2 EMKPIRPRRR

2.37

-14.0

-11.63
3 RNKPIRPRRR

2.29

-13.55

-11.26
4 RLKWIRPRRR

2.45

-13.42

-10.97
5 ELKPIRPRRW

2.07

-12.97

-10.9
6 RMKWIRPRRR

2.21

-12.97

-10.76
7 RMKPIRPRRR

2.52

-13.26

-10.74
8 ELKPIRPRRH

2.63

-13.34

-10.71
9 DLKPIRPRRR

2.29

-12.98

-10.69
10 RMKPIRPRRW

2.25

-12.91

-10.66
11 RNKPIRPRRW

2.66

-13.28

-10.62
12 DLKWIRPRRW

2.3

-12.91

-10.61
13 RMKPIRPRRH

2.04

-12.55

-10.51
14 DMKPIRPRRW

2.41

-12.91

-10.5
15 RLKPIRPRRR

2.61

-13.04

-10.43
16 RLKPIRPRRW

2.34

-12.68

-10.34
17 DMKPIRPRRH

2.24

-12.56

-10.32
18 RLKWIRPRRH

2.31

-12.59

-10.28
19 RMKWIRPRRW

2.31

-12.57

-10.26
20 DLKPIRPRRH

2.31

-12.52

-10.21
21 ELKPIRPRRR

2.57

-12.77

-10.2
22 ELKWIRPRRW

2.1

-12.22

-10.12
23 EMKPIRPRRW

2.25

-12.35

-10.1
24 DNKPIRPRRW

2.26

-12.24

-9.98
25 DLKPIRPRRW

2.59

-12.54

-9.95
26 RNKPIRPRRH

2.07

-11.84

-9.77
27 RLKWIRPRRW

2.25

-11.82

-9.57
28 RLKPIRPRRH

2.4

-11.71

-9.31
29 DNKPIRPRRR

2.13

-11.32

-9.19
30 ENKPIRPRRW

2.09

-11.07

-8.98

 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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