Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-15.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
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 0.780 ΔGbinding 1.006
TOTAL
 1.786
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.245
Van der Waals -3.019 Backbone clash 0.106
Electrostatics 0.642 Helix dipole 0.000
Solvation Polar 3.267 Water bridges -0.016
Solvation Hyd -4.797 Disulfide 0.000
VdW clashes 0.042 Electrost. Kon 0.831
Entropy sc 0.349 Part.cov.bonds 0.000
Entropy mc

3.463

 ΔGstability

11.405
       

Predicted ligand sequences for model [BBC1_1TG0-15.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_1TG0-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFIIRKVM 0.0
2 RPFIIRKRM 0.01
3 RPWIIRKVM 0.01
4 RPWIIRKRM 0.02
5 RPFIIRRVM 0.04
6 RPFIIRRRM 0.05
7 RKWIIRKVM 0.05
8 RPWIIRRVM 0.05
9 RKFIIRKVM 0.05
10 RPWIIRRRM 0.06
11 RKFIIRKRM 0.06
12 RKWIIRKRM 0.06
13 RKFIIRRVM 0.09
14 RPPIIRKVM 0.1
15 RKFIIRRRM 0.1
16 RKWIIRRVM 0.1
17 RKWIIRRRM 0.11
18 RPPIIRKRM 0.11
19 WPFIIRKVM 0.12
20 WPFIIRKRM 0.13
21 WPWIIRKVM 0.13
22 RPPIIRRVM 0.14
23 RKPIIRKVM 0.14
24 WPWIIRKRM 0.14
25 RPFIIRLVM 0.15
26 RKPIIRKRM 0.15
27 RPWIIRLVM 0.15
28 RPPIIRRRM 0.15
29 RPFIIRLRM 0.16
30 RPWIIRLRM 0.16
31 WPWIIRRVM 0.17
32 WKFIIRKVM 0.17
33 WKWIIRKVM 0.17
34 WPFIIRRVM 0.17
35 WPFIIRRRM 0.18
36 WKFIIRKRM 0.18
37 WPWIIRRRM 0.18
38 WKWIIRKRM 0.19
39 RKFIIRLVM 0.19
40 RKPIIRRVM 0.19
41 RKWIIRLVM 0.2
42 RPFIKRKVM 0.2
43 RRFIIRKVM 0.2
44 RKPIIRRRM 0.2
45 WKFIIRRVM 0.21
46 RKFIIRLRM 0.21
47 RPWIKRKVM 0.21
48 RKWIIRLRM 0.21
49 RRFIIRKRM 0.21
50 RRWIIRKVM 0.21
51 WKWIIRRVM 0.22
52 WPPIIRKVM 0.22
53 WKFIIRRRM 0.22
54 RPFIKRKRM 0.22
55 RPWIKRKRM 0.22
56 RRWIIRKRM 0.22
57 WKWIIRRRM 0.23
58 WPPIIRKRM 0.23
59 RRFIIRRVM 0.24
60 RPPIIRLVM 0.24
61 RPFIKRRVM 0.25
62 RRWIIRRVM 0.25
63 RPPIIRLRM 0.25
64 RKFIKRKVM 0.25
65 WPPIIRRVM 0.26
66 RRWIIRRRM 0.26
67 RRFIIRRRM 0.26
68 RKFIKRKRM 0.26
69 RPWIKRRVM 0.26
70 RPFIKRRRM 0.26
71 RKWIKRKVM 0.26
72 RKWIKRKRM 0.27
73 WKPIIRKVM 0.27
74 WPPIIRRRM 0.27
75 RPWIKRRRM 0.27
76 WPFIIRLVM 0.27
77 WPWIIRLVM 0.28
78 WPFIIRLRM 0.28
79 WKPIIRKRM 0.28
80 RKPIIRLVM 0.29
81 WPWIIRLRM 0.29
82 RPFIIRKKM 0.29
83 RPPIKRKVM 0.3
84 RKWIKRRVM 0.3
85 RKPIIRLRM 0.3
86 RPWIIRKKM 0.3
87 RKFIKRRVM 0.3
88 RRPIIRKVM 0.3
89 RPPIKRKRM 0.31
90 WKPIIRRVM 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPWIIRLRM

2.22

-8.02

-5.8
2 RPPIIRKVM

1.62

-7.41

-5.79
3 RPWIIRKRM

2.24

-7.95

-5.71
4 RPFIIRRRM

2.49

-8.19

-5.7
5 RPWIIRRRM

2.75

-8.41

-5.66
6 RPPIIRKRM

2.33

-7.94

-5.61
7 RPFIIRLRM

2.26

-7.81

-5.55
8 RPFIIRRVM

1.88

-7.36

-5.48
9 RPPIIRRRM

2.46

-7.79

-5.33
10 WPFIIRKVM

2.02

-7.3

-5.28
11 RKPIIRKRM

2.02

-7.26

-5.24
12 RPWIIRRVM

1.78

-6.98

-5.2
13 WPFIIRKRM

2.67

-7.86

-5.19
14 WPWIIRKRM

2.68

-7.85

-5.17
15 RPWIIRLVM

1.95

-7.07

-5.12
16 RPFIIRKRM

2.09

-7.18

-5.09
17 RPFIIRLVM

2.68

-7.71

-5.03
18 RPFIIRKVM

1.93

-6.93

-5.0
19 RPPIIRRVM

1.97

-6.78

-4.81
20 RPWIIRKVM

2.44

-7.18

-4.74
21 RKFIIRKRM

2.43

-7.09

-4.66
22 RKFIIRRVM

1.83

-6.38

-4.55
23 RKFIIRKVM

1.85

-6.24

-4.39
24 RKWIIRRRM

2.63

-7.01

-4.38
25 RKPIIRKVM

1.92

-6.16

-4.24
26 WPWIIRKVM

2.62

-6.85

-4.23
27 RKFIIRRRM

2.73

-6.85

-4.12
28 RKWIIRKRM

2.15

-6.22

-4.07
29 RKWIIRRVM

2.05

-6.03

-3.98
30 RKWIIRKVM

2.01

-5.66

-3.65

 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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