Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala 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 0.434 ΔGbinding 0.617
TOTAL
 1.051
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.795
Van der Waals -3.040 Backbone clash 0.013
Electrostatics 0.446 Helix dipole 0.000
Solvation Polar 2.823 Water bridges -0.037
Solvation Hyd -4.704 Disulfide 0.000
VdW clashes 0.441 Electrost. Kon 0.535
Entropy sc 0.534 Part.cov.bonds 0.000
Entropy mc

2.825

 ΔGstability

8.806
       

Predicted ligand sequences for model [BBC1_1TG0-11.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_1TG0-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRWRRRR 0.0
2 WRPRRRR 0.02
3 WRWRRHR 0.14
4 WRWKRRR 0.14
5 WRRRRRR 0.15
6 WRPRRHR 0.16
7 WRPKRRR 0.16
8 WRWIRRR 0.22
9 MRWRRRR 0.23
10 WRPIRRR 0.23
11 MRPRRRR 0.24
12 RRWRRRR 0.25
13 RRPRRRR 0.27
14 WRWKRHR 0.28
15 WRWRRPR 0.28
16 WRRRRHR 0.29
17 WRRKRRR 0.29
18 WRPKRHR 0.3
19 WRPRRPR 0.3
20 WRWIRHR 0.36
21 MRWRRHR 0.36
22 WRRIRRR 0.37
23 MRRRRRR 0.37
24 WRPIRHR 0.37
25 MRWKRRR 0.37
26 MRPKRRR 0.38
27 MRPRRHR 0.38
28 RRWRRHR 0.39
29 RRRRRRR 0.4
30 RRWKRRR 0.4
31 WPWRRRR 0.4
32 RRPKRRR 0.41
33 RRPRRHR 0.41
34 WPPRRRR 0.41
35 WRWKRPR 0.42
36 WRRRRPR 0.43
37 WRRKRHR 0.43
38 WRPKRPR 0.44
39 MRWIRRR 0.44
40 MRPIRRR 0.46
41 RRWIRRR 0.47
42 RRPIRRR 0.49
43 MRWRRPR 0.5
44 WRWIRPR 0.5
45 WRPIRPR 0.51
46 WRRIRHR 0.51
47 MRWKRHR 0.51
48 MRRRRHR 0.51
49 MRPKRHR 0.52
50 MRRKRRR 0.52
51 MRPRRPR 0.52
52 RRWRRPR 0.53
53 RRWKRHR 0.53
54 WPWKRRR 0.54
55 RRRKRRR 0.54
56 RRRRRHR 0.54
57 WPRRRRR 0.54
58 WPWRRHR 0.54
59 RRPRRPR 0.55
60 WPPRRHR 0.55
61 RRPKRHR 0.55
62 WPPKRRR 0.56
63 WRRKRPR 0.57
64 MRWIRHR 0.58
65 MRRIRRR 0.59
66 MRPIRHR 0.6
67 WPWIRRR 0.61
68 RRWIRHR 0.61
69 MPWRRRR 0.62
70 RRRIRRR 0.62
71 WPPIRRR 0.63
72 RRPIRHR 0.63
73 MPPRRRR 0.64
74 RPWRRRR 0.65
75 MRWKRPR 0.65
76 MRRKRHR 0.65
77 WRRIRPR 0.65
78 MRRRRPR 0.65
79 MRPKRPR 0.66
80 RRWKRPR 0.67
81 RPPRRRR 0.67
82 WPWKRHR 0.68
83 WPRRRHR 0.68
84 RRRRRPR 0.68
85 RRRKRHR 0.68
86 WPWRRPR 0.68
87 WPPKRHR 0.69
88 WPRKRRR 0.69
89 RRPKRPR 0.69
90 WPPRRPR 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRRRR

2.76

-5.19

-2.43
2 MRPKRRR

2.55

-4.96

-2.41
3 MRRRRRR

2.67

-4.93

-2.26
4 MRWRRRR

2.88

-5.06

-2.18
5 MRPRRHR

2.7

-4.82

-2.12
6 MRPRRRR

3.85

-5.91

-2.06
7 WRWRRRR

2.74

-4.73

-1.99
8 WRPIRRR

4.03

-5.94

-1.91
9 WRPIRHR

3.05

-4.94

-1.89
10 WRPRRHR

3.39

-5.25

-1.86
11 WRRRRHR

3.02

-4.83

-1.81
12 RRRRRRR

2.64

-4.35

-1.71
13 WRPRRRR

3.52

-5.01

-1.49
14 WRWIRRR

3.47

-4.89

-1.42
15 WRWKRRR

3.28

-4.61

-1.33
16 WRPKRRR

3.29

-4.62

-1.33
17 MRWRRHR

2.34

-3.66

-1.32
18 WRRKRRR

3.38

-4.69

-1.31
19 RRWRRRR

3.81

-4.94

-1.13
20 WRRIRRR

3.51

-4.59

-1.08
21 RRWKRRR

2.99

-4.04

-1.05
22 WRWKRHR

3.21

-4.23

-1.02
23 WRRRRRR

3.89

-4.72

-0.83
24 WRWRRHR

3.9

-4.65

-0.75
25 WRWRRPR

3.14

-3.84

-0.7
26 MRWKRRR

3.41

-4.1

-0.69
27 WRWIRHR

3.07

-3.53

-0.46
28 WRPKRHR

3.7

-4.02

-0.32
29 WRPRRPR

3.24

-3.34

-0.1
30 RRWRRHR

3.11

-2.66

0.45

 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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