Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-23.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 4.089 ΔGbinding -1.321
TOTAL
 2.768
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.294
Van der Waals -2.530 Backbone clash 0.000
Electrostatics -0.165 Helix dipole 0.000
Solvation Polar 2.784 Water bridges 0.000
Solvation Hyd -3.528 Disulfide 0.000
VdW clashes 0.661 Electrost. Kon -0.192
Entropy sc 0.486 Part.cov.bonds 0.000
Entropy mc

2.145

 ΔGstability

50.152
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-23.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).
 
  BZZ1-D2_G2B-ABO-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLLPWF 0.0
2 RPLLPWR 0.03
3 RPLLPWM 0.08
4 RPMLPWF 0.18
5 RPLLRWF 0.21
6 RPMLPWR 0.21
7 RRLLPWF 0.23
8 RPLLPHF 0.23
9 RPLLRWR 0.24
10 RRLLPWR 0.26
11 RPMLPWM 0.26
12 RPLLPHR 0.26
13 RPLLRWM 0.29
14 RRLLPWM 0.31
15 RPLLPHM 0.31
16 RKLLPWF 0.32
17 RPLLPRF 0.33
18 RKLLPWR 0.35
19 RPLLPRR 0.36
20 RPLLEWF 0.39
21 RKLLPWM 0.4
22 RPMLRWF 0.4
23 RPLLPRM 0.41
24 RPMLPHF 0.42
25 RRMLPWF 0.42
26 RPMLRWR 0.43
27 RPLLEWR 0.43
28 RRLLRWF 0.45
29 RPLLRHF 0.45
30 RPMLPHR 0.45
31 RRMLPWR 0.45
32 RRLLPHF 0.47
33 RPMLRWM 0.47
34 RPLLEWM 0.47
35 RRLLRWR 0.48
36 RPLLRHR 0.48
37 RPMLPHM 0.49
38 RRMLPWM 0.49
39 RRLLPHR 0.5
40 RKMLPWF 0.5
41 RRLLRWM 0.52
42 RPLLRHM 0.52
43 RPMLPRF 0.52
44 RKMLPWR 0.53
45 RKLLRWF 0.53
46 RRLLPHM 0.54
47 RPLLRRF 0.55
48 RPMLPRR 0.55
49 RKLLPHF 0.55
50 RKLLRWR 0.56
51 RRLLPRF 0.57
52 RPLLRRR 0.58
53 RKMLPWM 0.58
54 RKLLPHR 0.58
55 RPMLEWF 0.58
56 RPMLPRM 0.59
57 RRLLPRR 0.6
58 RKLLRWM 0.61
59 RPMLEWR 0.61
60 RPLLRRM 0.62
61 RPLLEHF 0.63
62 RRLLEWF 0.63
63 RRMLRWF 0.63
64 RKLLPHM 0.63
65 RPMLRHF 0.63
66 RRLLPRM 0.64
67 RKLLPRF 0.65
68 RPMLEWM 0.65
69 RRMLPHF 0.65
70 RPMLRHR 0.66
71 RPLLEHR 0.66
72 RRLLEWR 0.66
73 RRMLRWR 0.66
74 RKLLPRR 0.68
75 RRLLRHF 0.68
76 RRMLPHR 0.68
77 RPMLRHM 0.7
78 RPLLEHM 0.7
79 RRLLEWM 0.7
80 RRLLRHR 0.71
81 RKLLEWF 0.71
82 RRMLRWM 0.71
83 RKMLRWF 0.72
84 RRMLPHM 0.72
85 RPMLRRF 0.73
86 RKMLPHF 0.73
87 RKLLPRM 0.73
88 RPLLERF 0.73
89 RKLLEWR 0.74
90 RKMLRWR 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRLLPWM

3.56

-9.33

-5.77
2 RPLLPWR

2.19

-7.76

-5.57
3 RPLLPHR

2.17

-7.5

-5.33
4 RPLLPWF

3.3

-8.62

-5.32
5 RPLLPRM

2.85

-7.5

-4.65
6 RPLLEWF

3.57

-7.97

-4.4
7 RKLLPWM

3.44

-7.75

-4.31
8 RPLLPRF

3.99

-8.08

-4.09
9 RRLLRWF

3.53

-7.58

-4.05
10 RPMLPWF

4.7

-8.65

-3.95
11 RPLLRWM

2.21

-6.09

-3.88
12 RPMLRWF

3.26

-7.12

-3.86
13 RPLLRWR

2.87

-6.57

-3.7
14 RRLLPWR

3.99

-7.54

-3.55
15 RPLLRWF

4.48

-7.82

-3.34
16 RPLLPWM

4.44

-7.76

-3.32
17 RPLLPRR

4.52

-7.55

-3.03
18 RPMLPHR

4.75

-7.21

-2.46
19 RKLLPWF

6.39

-7.57

-1.18
20 RPLLEWR

5.85

-7.01

-1.16
21 RPMLRWR

6.06

-7.21

-1.15
22 RPLLRHF

5.65

-6.64

-0.99
23 RRLLPWF

6.3

-7.28

-0.98
24 RPMLPHF

2.95

-3.9

-0.95
25 RPLLPHF

6.26

-7.18

-0.92
26 RKLLPWR

5.93

-6.69

-0.76
27 RPLLPHM

5.73

-6.34

-0.61
28 RPMLPWM

7.3

-7.58

-0.28
29 RRMLPWF

2.96

-2.72

0.24
30 RPMLPWR

6.9

-6.3

0.6

 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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