Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-12.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 0.911 ΔGbinding 0.665
TOTAL
 1.576
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.464
Van der Waals -2.240 Backbone clash 0.000
Electrostatics 0.145 Helix dipole 0.000
Solvation Polar 3.532 Water bridges -0.119
Solvation Hyd -3.039 Disulfide 0.000
VdW clashes 1.323 Electrost. Kon 0.129
Entropy sc 1.113 Part.cov.bonds 0.000
Entropy mc

1.132

 ΔGstability

9.408
       

Predicted ligand sequences for model [BBC1_1TG0-12.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_1TG0-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWRRPWWR 0.0
2 WWRRPWWK 0.09
3 WWRRRWWR 0.09
4 WWRRPWSR 0.15
5 WWRRHWWR 0.16
6 WWRRRWWK 0.18
7 WWRRPWSK 0.24
8 WWRRRWSR 0.24
9 WWRRHWWK 0.25
10 WWRRHWSR 0.31
11 WWRRRWSK 0.33
12 WWRRPWRR 0.36
13 WWRRPRWR 0.39
14 WWRRHWSK 0.4
15 WWRRPWWH 0.43
16 RWRRPWWR 0.44
17 WWRRPWRK 0.45
18 WWRRRWRR 0.45
19 WWRRPMWR 0.46
20 WWRRPRWK 0.47
21 WWRRRRWR 0.48
22 WWRRHWRR 0.51
23 WWRRRWWH 0.52
24 RWRRRWWR 0.53
25 RWRRPWWK 0.53
26 WWRRPRSR 0.54
27 WWRRRWRK 0.54
28 WWRRHRWR 0.54
29 WWRRPMWK 0.55
30 WWRRRMWR 0.55
31 WWRRRRWK 0.57
32 WWRRPWSH 0.58
33 WWRRHWWH 0.58
34 RWRRPWSR 0.59
35 WWRRHWRK 0.6
36 RWRRHWWR 0.6
37 WWRRHMWR 0.61
38 WWRRPMSR 0.61
39 RWRRRWWK 0.62
40 WWRRRRSR 0.63
41 WWRRPRSK 0.63
42 WWRRHRWK 0.63
43 WWRRRMWK 0.64
44 WWRRRWSH 0.67
45 RWRRRWSR 0.68
46 RWRRPWSK 0.68
47 RWRRHWWK 0.69
48 WWRRHRSR 0.69
49 WWRRPMSK 0.7
50 WWRRHMWK 0.7
51 WWRRRMSR 0.7
52 WWRRRRSK 0.72
53 WWRRPRRR 0.74
54 WWRRHWSH 0.74
55 RWRRHWSR 0.75
56 RWRRRWSK 0.77
57 WWRRHMSR 0.77
58 WWRRPWRH 0.78
59 WWRRHRSK 0.78
60 WWRRRMSK 0.79
61 RWRRPWRR 0.8
62 WWRRPMRR 0.81
63 WWRRPRWH 0.81
64 RWRRPRWR 0.83
65 WWRRRRRR 0.83
66 WWRRPRRK 0.83
67 RWRRHWSK 0.84
68 WWRRHMSK 0.85
69 RWRRPWWH 0.87
70 WWRRRWRH 0.87
71 WWRRPMWH 0.88
72 RWRRPWRK 0.89
73 RWRRRWRR 0.89
74 WWRRHRRR 0.9
75 WWRRRMRR 0.9
76 WWRRPMRK 0.9
77 RWRRPMWR 0.9
78 WWRRRRWH 0.9
79 RWRRPRWK 0.92
80 WWRRRRRK 0.92
81 RWRRRRWR 0.92
82 WWRRHWRH 0.94
83 RWRRHWRR 0.95
84 WWRRPRSH 0.96
85 RWRRRWWH 0.96
86 WWRRHRWH 0.97
87 WWRRHMRR 0.97
88 WWRRRMWH 0.97
89 RWRRPRSR 0.98
90 RWRRHRWR 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WWRRRWRR

2.62

-12.42

-9.8
2 WWRRRWRK

2.78

-12.14

-9.36
3 WWRRPWRK

2.83

-11.93

-9.1
4 WWRRPWRR

2.69

-11.77

-9.08
5 WWRRRRWR

3.03

-12.08

-9.05
6 WWRRPRWR

2.9

-11.88

-8.98
7 WWRRPRWK

2.69

-11.12

-8.43
8 WWRRPMWR

1.89

-9.82

-7.93
9 WWRRPWWK

2.73

-10.36

-7.63
10 RWRRPWWR

2.55

-9.83

-7.28
11 WWRRRWWK

2.76

-9.96

-7.2
12 WWRRRWWR

2.83

-9.94

-7.11
13 WWRRHRWR

2.72

-9.75

-7.03
14 WWRRPWSR

2.51

-9.53

-7.02
15 WWRRPMWK

2.25

-9.22

-6.97
16 WWRRRMWR

2.23

-9.15

-6.92
17 WWRRRWSR

2.39

-9.25

-6.86
18 RWRRPWWK

2.69

-9.22

-6.53
19 WWRRPWSK

2.64

-9.05

-6.41
20 WWRRPWWH

3.24

-8.94

-5.7
21 WWRRPRSR

1.98

-7.43

-5.45
22 WWRRHWRR

2.79

-8.07

-5.28
23 WWRRHWWK

2.77

-8.02

-5.25
24 WWRRHWWR

2.77

-7.53

-4.76
25 WWRRHWSK

2.49

-6.54

-4.05
26 RWRRRWWR

2.45

-6.37

-3.92
27 WWRRRWSK

2.58

-6.38

-3.8
28 WWRRHWSR

2.31

-6.09

-3.78
29 WWRRRWWH

2.4

-5.9

-3.5
30 WWRRPWWR

2.5

-5.99

-3.49

 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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