Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-1.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 3.198 ΔGbinding -2.991
TOTAL
 0.207
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 2.149
Van der Waals -4.951 Backbone clash 0.241
Electrostatics -0.877 Helix dipole 0.000
Solvation Polar 5.458 Water bridges 0.000
Solvation Hyd -7.626 Disulfide 0.000
VdW clashes 1.367 Electrost. Kon -1.003
Entropy sc 1.867 Part.cov.bonds 0.000
Entropy mc

3.674

 ΔGstability

10.946
       

Predicted ligand sequences for model [BBC1_1TG0-1.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_1TG0-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRRRRRRRY 0.0
2 RKKRRRRRRY 0.06
3 RKPRRRRRRY 0.27
4 RKHRRRRRRY 0.29
5 RKMRRRRRRY 0.34
6 RKRRRRRRRR 0.39
7 RKRRRRRRRW 0.44
8 RKKRRRRRRR 0.45
9 RKKRRRRRRW 0.5
10 RKRRRRRRRF 0.62
11 RKRRRRKRRY 0.66
12 RKPRRRRRRR 0.66
13 RKKRRRRRRF 0.68
14 RKHRRRRRRR 0.68
15 RKPRRRRRRW 0.71
16 RKHRRRRRRW 0.72
17 RKKRRRKRRY 0.72
18 RKMRRRRRRR 0.73
19 RKMRRRRRRW 0.78
20 HKRRRRRRRY 0.85
21 RKRRRRPRRY 0.85
22 RKPRRRRRRF 0.89
23 RKHRRRRRRF 0.91
24 RKKRRRPRRY 0.91
25 HKKRRRRRRY 0.91
26 RKPRRRKRRY 0.93
27 RKHRRRKRRY 0.94
28 RKMRRRRRRF 0.96
29 RKMRRRKRRY 1.0
30 RKRRRRKRRR 1.05
31 RKRRRRKRRW 1.09
32 RKKRRRKRRR 1.11
33 RKPRRRPRRY 1.12
34 HKPRRRRRRY 1.12
35 RKHRRRPRRY 1.14
36 HKHRRRRRRY 1.14
37 RKKRRRKRRW 1.16
38 HKMRRRRRRY 1.19
39 RKMRRRPRRY 1.19
40 HKRRRRRRRR 1.24
41 RKRRRRPRRR 1.24
42 RKRRRRKRRF 1.28
43 HKRRRRRRRW 1.29
44 RKRRRRPRRW 1.29
45 RKKRRRPRRR 1.3
46 HKKRRRRRRR 1.3
47 RKPRRRKRRR 1.32
48 RKHRRRKRRR 1.33
49 RKKRRRKRRF 1.34
50 RKKRRRPRRW 1.35
51 HKKRRRRRRW 1.35
52 RKPRRRKRRW 1.36
53 RKHRRRKRRW 1.38
54 RKMRRRKRRR 1.39
55 RKMRRRKRRW 1.44
56 HKRRRRRRRF 1.47
57 RKRRRRPRRF 1.47
58 HKRRRRKRRY 1.51
59 RKPRRRPRRR 1.51
60 HKPRRRRRRR 1.51
61 RKHRRRPRRR 1.53
62 RKKRRRPRRF 1.53
63 HKKRRRRRRF 1.53
64 HKHRRRRRRR 1.53
65 RKPRRRKRRF 1.55
66 RKPRRRPRRW 1.56
67 RKHRRRKRRF 1.56
68 HKPRRRRRRW 1.56
69 RKHRRRPRRW 1.57
70 HKKRRRKRRY 1.57
71 HKHRRRRRRW 1.57
72 HKMRRRRRRR 1.58
73 RKMRRRPRRR 1.58
74 RKMRRRKRRF 1.62
75 HKMRRRRRRW 1.63
76 RKMRRRPRRW 1.63
77 HKRRRRPRRY 1.7
78 RKPRRRPRRF 1.74
79 HKPRRRRRRF 1.74
80 RKHRRRPRRF 1.76
81 HKKRRRPRRY 1.76
82 HKHRRRRRRF 1.76
83 HKPRRRKRRY 1.77
84 HKHRRRKRRY 1.79
85 HKMRRRRRRF 1.81
86 RKMRRRPRRF 1.81
87 HKMRRRKRRY 1.85
88 HKRRRRKRRR 1.9
89 HKRRRRKRRW 1.94
90 HKKRRRKRRR 1.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKKRRRPRRY

4.04

-13.91

-9.87
2 RKHRRRRRRY

4.68

-14.33

-9.65
3 RKHRRRRRRF

4.47

-13.83

-9.36
4 RKPRRRRRRW

4.64

-13.84

-9.2
5 RKPRRRRRRR

4.23

-13.21

-8.98
6 RKRRRRKRRY

4.44

-13.39

-8.95
7 RKRRRRRRRY

5.46

-14.33

-8.87
8 RKRRRRPRRY

4.2

-12.77

-8.57
9 RKPRRRRRRY

4.6

-12.98

-8.38
10 RKRRRRKRRR

4.63

-12.87

-8.24
11 RKMRRRRRRF

5.79

-13.96

-8.17
12 RKHRRRRRRR

4.64

-12.77

-8.13
13 RKKRRRRRRY

3.81

-11.9

-8.09
14 RKRRRRRRRF

4.83

-12.87

-8.04
15 RKPRRRKRRY

4.17

-11.73

-7.56
16 RKPRRRRRRF

3.86

-11.08

-7.22
17 RKHRRRKRRY

3.95

-11.17

-7.22
18 RKRRRRRRRW

4.7

-11.59

-6.89
19 HKRRRRRRRY

4.39

-11.09

-6.7
20 HKKRRRRRRY

4.22

-10.59

-6.37
21 RKKRRRRRRW

4.67

-11.01

-6.34
22 RKMRRRKRRY

5.31

-11.59

-6.28
23 RKHRRRRRRW

4.56

-10.74

-6.18
24 RKKRRRRRRF

4.44

-10.35

-5.91
25 RKRRRRRRRR

4.76

-10.6

-5.84
26 RKKRRRRRRR

4.24

-10.07

-5.83
27 RKMRRRRRRW

4.69

-10.29

-5.6
28 RKMRRRRRRR

5.51

-10.75

-5.24
29 RKKRRRKRRY

5.54

-9.98

-4.44
30 RKMRRRRRRY

4.58

-8.87

-4.29

 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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