Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-2.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 0.695 ΔGbinding 0.043
TOTAL
 0.738
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.875
Van der Waals -5.501 Backbone clash 0.030
Electrostatics -0.922 Helix dipole 0.000
Solvation Polar 6.365 Water bridges -0.007
Solvation Hyd -8.372 Disulfide 0.000
VdW clashes 6.100 Electrost. Kon -1.069
Entropy sc 1.944 Part.cov.bonds 0.000
Entropy mc

3.679

 ΔGstability

11.666
       

Predicted ligand sequences for model [BBC1_1TG0-2.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_1TG0-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWKFRPPRRW 0.0
2 RWKRRPPRRW 0.02
3 RWKHRPPRRW 0.12
4 RWRFRPPRRW 0.18
5 RWKFRPMRRW 0.19
6 RWRRRPPRRW 0.2
7 RWKRRPMRRW 0.2
8 RWKHRPMRRW 0.31
9 RWRHRPPRRW 0.31
10 RWKFRPPRRR 0.35
11 RWKRRPPRRR 0.36
12 RWRFRPMRRW 0.37
13 RWRRRPMRRW 0.39
14 RWKFRPFRRW 0.4
15 RWKRRPFRRW 0.42
16 RWKFRPPRRH 0.43
17 RWKRRPPRRH 0.45
18 RWKFTPPRRW 0.46
19 RWKRTPPRRW 0.47
20 RWKHRPPRRR 0.47
21 RWRHRPMRRW 0.49
22 RWPFRPPRRW 0.49
23 RWPRRPPRRW 0.51
24 RWKHRPFRRW 0.52
25 RWKFRPMRRR 0.53
26 RWRFRPPRRR 0.53
27 RWRRRPPRRR 0.55
28 RWKRRPMRRR 0.55
29 RWKHRPPRRH 0.56
30 RWRFRPFRRW 0.58
31 RWKHTPPRRW 0.58
32 RWRRRPFRRW 0.6
33 RWKFRPMRRH 0.62
34 RWPHRPPRRW 0.62
35 RWRFRPPRRH 0.62
36 RWRRRPPRRH 0.64
37 RWKFTPMRRW 0.64
38 RWKRRPMRRH 0.64
39 RWRFTPPRRW 0.64
40 RWRHRPPRRR 0.65
41 RWKHRPMRRR 0.66
42 RWRRTPPRRW 0.66
43 RWKRTPMRRW 0.66
44 RWPFRPMRRW 0.68
45 RWPRRPMRRW 0.7
46 RWRHRPFRRW 0.71
47 RWRFRPMRRR 0.72
48 RWRRRPMRRR 0.73
49 RWKHRPMRRH 0.74
50 RWRHRPPRRH 0.74
51 RWKFRPFRRR 0.75
52 RWRHTPPRRW 0.76
53 RWKRRPFRRR 0.76
54 RWKHTPMRRW 0.77
55 RWPHRPMRRW 0.8
56 RWKFTPPRRR 0.8
57 RWRFRPMRRH 0.8
58 RWKRTPPRRR 0.82
59 RWRRRPMRRH 0.82
60 RWKFRPFRRH 0.83
61 RWRFTPMRRW 0.83
62 RWRRTPMRRW 0.84
63 RWRHRPMRRR 0.84
64 RWPFRPPRRR 0.84
65 RWKRRPFRRH 0.85
66 RWKFTPFRRW 0.86
67 RWPRRPPRRR 0.86
68 RWKRTPFRRW 0.87
69 RWKHRPFRRR 0.87
70 RWKFTPPRRH 0.89
71 RWPFRPFRRW 0.89
72 RWKRTPPRRH 0.91
73 RWPRRPFRRW 0.91
74 RWRFRPFRRR 0.93
75 RWRHRPMRRH 0.93
76 RWKHTPPRRR 0.93
77 RWPFRPPRRH 0.93
78 RWRHTPMRRW 0.95
79 RWPRRPPRRH 0.95
80 RWRRRPFRRR 0.95
81 RWPFTPPRRW 0.95
82 RWPHRPPRRR 0.96
83 RWKHRPFRRH 0.96
84 RWPRTPPRRW 0.97
85 RWKHTPFRRW 0.98
86 RWKFTPMRRR 0.99
87 RWRFTPPRRR 0.99
88 RWRRTPPRRR 1.0
89 RWKRTPMRRR 1.01
90 RWRFRPFRRH 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWKHRPMRRW

2.79

-11.03

-8.24
2 RWKRRPMRRW

2.86

-10.79

-7.93
3 RWRHRPPRRW

2.76

-10.66

-7.9
4 RWKRRPPRRW

2.25

-10.14

-7.89
5 RWKHRPPRRW

2.45

-10.29

-7.84
6 RWKRRPPRRR

3.18

-10.98

-7.8
7 RWRRRPPRRR

2.93

-10.68

-7.75
8 RWKFRPMRRR

2.8

-10.49

-7.69
9 RWKFTPPRRW

2.77

-10.4

-7.63
10 RWKFRPPRRW

3.14

-10.62

-7.48
11 RWKRRPPRRH

3.66

-11.03

-7.37
12 RWKFRPMRRW

3.16

-10.47

-7.31
13 RWRRRPMRRW

3.39

-10.61

-7.22
14 RWRFRPFRRW

2.4

-9.46

-7.06
15 RWKRRPFRRW

3.74

-10.66

-6.92
16 RWKFRPFRRW

2.68

-9.58

-6.9
17 RWRRRPPRRW

3.75

-10.55

-6.8
18 RWKRRPMRRR

2.83

-9.57

-6.74
19 RWKFRPPRRR

3.02

-9.69

-6.67
20 RWKRTPPRRW

4.18

-10.85

-6.67
21 RWPRRPPRRW

3.38

-9.81

-6.43
22 RWKFRPPRRH

2.34

-8.71

-6.37
23 RWRFRPPRRR

3.27

-9.57

-6.3
24 RWRFRPPRRW

2.87

-9.15

-6.28
25 RWRFRPMRRW

3.06

-9.28

-6.22
26 RWKHRPPRRH

2.77

-8.71

-5.94
27 RWKHRPPRRR

3.08

-8.69

-5.61
28 RWRHRPMRRW

3.33

-8.72

-5.39
29 RWKHRPFRRW

2.67

-7.77

-5.1
30 RWPFRPPRRW

2.68

-7.17

-4.49

 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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