Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-7.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
G
 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 0.541 ΔGbinding 0.071
TOTAL
 0.612
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.337
Van der Waals -2.962 Backbone clash 0.016
Electrostatics 0.425 Helix dipole 0.000
Solvation Polar 3.206 Water bridges 0.000
Solvation Hyd -4.392 Disulfide 0.000
VdW clashes 0.417 Electrost. Kon 0.617
Entropy sc 0.504 Part.cov.bonds 0.000
Entropy mc

1.919

 ΔGstability

8.523
       

Predicted ligand sequences for model [BBC1_1TG0-7.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_1TG0-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRRRHPRR 0.0
2 WRPRHPRR 0.02
3 WRKRHPRR 0.02
4 WRRRKPRR 0.07
5 WRPRKPRR 0.09
6 WRKRKPRR 0.1
7 WRHRHPRR 0.17
8 WRRRHYRR 0.18
9 WRPRHYRR 0.2
10 WRKRHYRR 0.21
11 WRHRKPRR 0.24
12 WRRRRPRR 0.24
13 WRRRKYRR 0.25
14 WRKRRPRR 0.27
15 WRPRRPRR 0.27
16 WRPRKYRR 0.27
17 WRKRKYRR 0.28
18 WRRRHPYR 0.32
19 WRPRHPYR 0.34
20 WRHRHYRR 0.35
21 WRKRHPYR 0.35
22 WRRRHRRR 0.37
23 WRKRHRRR 0.39
24 WRPRHRRR 0.39
25 WRRRKPYR 0.39
26 WRPRKPYR 0.41
27 WRHRRPRR 0.41
28 WRHRKYRR 0.42
29 WRKRKPYR 0.42
30 WRRRRYRR 0.43
31 WRRRKRRR 0.44
32 WRRRHKRR 0.45
33 WRPRRYRR 0.45
34 WRKRRYRR 0.45
35 WRRRHPIR 0.45
36 WRPRKRRR 0.46
37 WRKRKRRR 0.46
38 WRPRHPIR 0.47
39 WRKRHKRR 0.47
40 WRPRHKRR 0.47
41 WRRRHPKR 0.48
42 WRKRHPIR 0.48
43 WRHRHPYR 0.49
44 WRPRHPKR 0.5
45 WRKRHPKR 0.5
46 WRRRHYYR 0.51
47 WRRRKPIR 0.52
48 WRRRKKRR 0.52
49 WRKRHYYR 0.53
50 WRHRHRRR 0.53
51 WRPRHYYR 0.53
52 WRKRKKRR 0.54
53 WRPRKKRR 0.54
54 WRPRKPIR 0.54
55 WRKRKPIR 0.55
56 WRRRKPKR 0.55
57 WRHRKPYR 0.56
58 WRPRKPKR 0.57
59 WRKRKPKR 0.57
60 WRRRRPYR 0.57
61 WRRRKYYR 0.58
62 WRPRRPYR 0.59
63 WRKRRPYR 0.59
64 WRHRRYRR 0.59
65 WRHRKRRR 0.6
66 WRKRKYYR 0.6
67 WRPRKYYR 0.6
68 WRRRRRRR 0.61
69 WRHRHKRR 0.61
70 WRHRHPIR 0.62
71 WRRRHYIR 0.63
72 WRPRRRRR 0.63
73 WRKRRRRR 0.64
74 WRHRHPKR 0.64
75 WRPRHYIR 0.65
76 WRRRHYKR 0.66
77 WRKRHYIR 0.66
78 WRHRHYYR 0.67
79 WRPRHYKR 0.68
80 WRKRHYKR 0.68
81 WRHRKKRR 0.68
82 WRRRHRYR 0.69
83 WRRRRKRR 0.69
84 WRHRKPIR 0.69
85 WRRRRPIR 0.7
86 WRKRHRYR 0.71
87 WRHRKPKR 0.71
88 WRPRRKRR 0.71
89 WRPRHRYR 0.71
90 WRRRKYIR 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRRRPRR

2.67

-8.95

-6.28
2 WRPRHPRR

2.13

-7.79

-5.66
3 WRHRKPRR

2.52

-7.6

-5.08
4 WRKRRPRR

2.96

-7.94

-4.98
5 WRRRHRRR

2.52

-7.36

-4.84
6 WRPRHPYR

2.19

-7.0

-4.81
7 WRPRKPRR

2.92

-7.68

-4.76
8 WRHRRPRR

3.07

-7.82

-4.75
9 WRRRHPRR

2.49

-7.2

-4.71
10 WRHRHPRR

2.91

-7.55

-4.64
11 WRKRHRRR

2.58

-7.17

-4.59
12 WRKRHYRR

2.46

-6.74

-4.28
13 WRKRHPRR

2.16

-6.41

-4.25
14 WRHRKYRR

2.74

-6.96

-4.22
15 WRRRKPYR

2.61

-6.7

-4.09
16 WRRRHPYR

2.12

-6.03

-3.91
17 WRRRRYRR

2.7

-6.55

-3.85
18 WRPRRPRR

3.08

-6.85

-3.77
19 WRKRKYRR

3.4

-7.1

-3.7
20 WRPRHRRR

2.71

-6.39

-3.68
21 WRHRHYRR

2.52

-6.19

-3.67
22 WRKRHPYR

2.05

-5.61

-3.56
23 WRPRHYRR

3.25

-6.7

-3.45
24 WRRRKYRR

3.63

-7.0

-3.37
25 WRRRHYRR

2.81

-6.16

-3.35
26 WRKRKPRR

3.8

-7.11

-3.31
27 WRKRKPYR

3.1

-6.32

-3.22
28 WRPRKPYR

2.94

-5.96

-3.02
29 WRRRKPRR

2.96

-5.92

-2.96
30 WRPRKYRR

2.91

-4.83

-1.92

 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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