Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-4.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 0.557 ΔGbinding 0.914
TOTAL
 1.471
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.856
Van der Waals -5.365 Backbone clash 0.012
Electrostatics -0.998 Helix dipole 0.000
Solvation Polar 6.234 Water bridges -0.026
Solvation Hyd -8.181 Disulfide 0.000
VdW clashes 7.592 Electrost. Kon -1.112
Entropy sc 1.939 Part.cov.bonds 0.000
Entropy mc

3.024

 ΔGstability

12.927
       

Predicted ligand sequences for model [BBC1_1TG0-4.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_1TG0-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRFRPRRRW 0.0
2 RRRFRPRRRW 0.15
3 RFPFRPRRRW 0.17
4 RFKFRPRRRW 0.19
5 RWRFRPRRRW 0.26
6 RFRHRPRRRW 0.27
7 RFRFRPRRRH 0.28
8 RFRFHPRRRW 0.29
9 RRPFRPRRRW 0.32
10 RRKFRPRRRW 0.34
11 RRRHRPRRRW 0.42
12 RWPFRPRRRW 0.43
13 RRRFRPRRRH 0.43
14 RFPFRPRRRH 0.44
15 RRRFHPRRRW 0.44
16 RFPHRPRRRW 0.44
17 RFPFHPRRRW 0.45
18 RWKFRPRRRW 0.45
19 RFKHRPRRRW 0.46
20 RFKFRPRRRH 0.47
21 FFRFRPRRRW 0.47
22 RFKFHPRRRW 0.48
23 RWRHRPRRRW 0.53
24 RWRFRPRRRH 0.54
25 RFRHRPRRRH 0.55
26 RWRFHPRRRW 0.55
27 RFRHHPRRRW 0.56
28 RFRFHPRRRH 0.56
29 RRPHRPRRRW 0.58
30 RRPFRPRRRH 0.59
31 RRPFHPRRRW 0.6
32 RRKHRPRRRW 0.61
33 RRKFRPRRRH 0.62
34 FRRFRPRRRW 0.62
35 RRKFHPRRRW 0.63
36 FFPFRPRRRW 0.64
37 FFKFRPRRRW 0.66
38 RWPFRPRRRH 0.7
39 RWPHRPRRRW 0.7
40 RRRHRPRRRH 0.7
41 RRRHHPRRRW 0.71
42 RFPHRPRRRH 0.71
43 RRRFHPRRRH 0.71
44 RWPFHPRRRW 0.72
45 RWKHRPRRRW 0.72
46 RFPHHPRRRW 0.72
47 FWRFRPRRRW 0.73
48 RFPFHPRRRH 0.73
49 RWKFRPRRRH 0.73
50 FFRHRPRRRW 0.74
51 RFKHRPRRRH 0.74
52 RWKFHPRRRW 0.74
53 RFKHHPRRRW 0.75
54 FFRFRPRRRH 0.75
55 RFKFHPRRRH 0.76
56 FFRFHPRRRW 0.76
57 FRPFRPRRRW 0.79
58 FRKFRPRRRW 0.81
59 RWRHRPRRRH 0.81
60 RWRHHPRRRW 0.82
61 RWRFHPRRRH 0.83
62 RFRHHPRRRH 0.84
63 RRPHRPRRRH 0.86
64 RRPHHPRRRW 0.87
65 RRPFHPRRRH 0.88
66 FRRHRPRRRW 0.89
67 RRKHRPRRRH 0.89
68 FWPFRPRRRW 0.9
69 RRKHHPRRRW 0.9
70 RRKFHPRRRH 0.9
71 FRRFRPRRRH 0.9
72 FFPFRPRRRH 0.91
73 FFPHRPRRRW 0.91
74 FRRFHPRRRW 0.91
75 FFPFHPRRRW 0.92
76 FWKFRPRRRW 0.92
77 FFKHRPRRRW 0.93
78 FFKFRPRRRH 0.94
79 FFKFHPRRRW 0.95
80 RWPHRPRRRH 0.97
81 RRRHHPRRRH 0.98
82 RWPHHPRRRW 0.99
83 RWPFHPRRRH 0.99
84 FWRHRPRRRW 1.0
85 RWKHRPRRRH 1.0
86 RFPHHPRRRH 1.0
87 RWKHHPRRRW 1.01
88 FWRFRPRRRH 1.01
89 FFRHRPRRRH 1.02
90 FWRFHPRRRW 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FFRFRPRRRW

2.15

-10.1

-7.95
2 RWRHRPRRRW

2.53

-10.41

-7.88
3 RFRHRPRRRW

3.06

-10.76

-7.7
4 RRRHRPRRRW

2.24

-9.85

-7.61
5 RRRFHPRRRW

2.78

-9.9

-7.12
6 RRKFRPRRRW

2.65

-9.76

-7.11
7 RFKFRPRRRH

2.84

-9.94

-7.1
8 RFKFRPRRRW

2.25

-8.99

-6.74
9 RFKHRPRRRW

3.09

-9.67

-6.58
10 RFPHRPRRRW

3.26

-9.84

-6.58
11 RFRFRPRRRW

2.62

-9.11

-6.49
12 RFRHHPRRRW

2.18

-8.64

-6.46
13 RRRFRPRRRW

3.2

-9.6

-6.4
14 RWKFRPRRRW

2.86

-8.99

-6.13
15 RWRFRPRRRH

3.01

-9.05

-6.04
16 RFRFHPRRRW

2.8

-8.8

-6.0
17 RRPFRPRRRW

3.28

-9.27

-5.99
18 RFRHRPRRRH

2.9

-8.76

-5.86
19 RFRFRPRRRH

3.17

-8.92

-5.75
20 RFKFHPRRRW

3.05

-8.58

-5.53
21 RWRFRPRRRW

3.3

-8.73

-5.43
22 RWRFHPRRRW

3.39

-8.81

-5.42
23 RFRFHPRRRH

3.06

-8.23

-5.17
24 RFPFHPRRRW

3.27

-8.31

-5.04
25 RRPHRPRRRW

2.83

-7.69

-4.86
26 RWPFRPRRRW

3.41

-8.25

-4.84
27 RFPFRPRRRH

3.27

-7.74

-4.47
28 RFPFRPRRRW

3.65

-7.49

-3.84
29 RRRFRPRRRH

3.71

-7.5

-3.79
30 RRPFRPRRRH

5.34

-8.2

-2.86

 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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