Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-15.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
poly-Ala 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 1.312 ΔGbinding 0.604
TOTAL
 1.916
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.285
Van der Waals -3.351 Backbone clash 0.119
Electrostatics 0.673 Helix dipole 0.000
Solvation Polar 3.436 Water bridges -0.063
Solvation Hyd -5.432 Disulfide 0.000
VdW clashes 0.102 Electrost. Kon 0.853
Entropy sc 0.330 Part.cov.bonds 0.000
Entropy mc

3.770

 ΔGstability

12.066
       

Predicted ligand sequences for model [BBC1_1ZUK3-15.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_1ZUK3-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRIWKIK 0.0
2 RPRRIWRIK 0.01
3 RPRRIHKIK 0.05
4 RPRRIHRIK 0.06
5 RPWRIWKIK 0.07
6 RPFRIWKIK 0.08
7 RPWRIWRIK 0.08
8 RPFRIWRIK 0.08
9 RPRRIWKRK 0.11
10 RPRRIWRRK 0.12
11 RPWRIHKIK 0.13
12 RPFRIHKIK 0.13
13 RKRRIWKIK 0.13
14 RPWRIHRIK 0.13
15 RPFRIHRIK 0.14
16 RPRRVWKIK 0.14
17 RKRRIWRIK 0.14
18 RPRRVWRIK 0.14
19 RPRRIWLIK 0.16
20 RPRRIHKRK 0.16
21 RPRRIHRRK 0.17
22 RRRRIWKIK 0.17
23 RRRRIWRIK 0.18
24 RPWRIWKRK 0.18
25 RPFRIWRRK 0.19
26 RPFRIWKRK 0.19
27 RPRRKWKIK 0.19
28 RPRRVHKIK 0.19
29 RPRRIWKKK 0.19
30 RPWRIWRRK 0.19
31 RKRRIHRIK 0.19
32 RKRRIHKIK 0.19
33 RPRRIWRKK 0.19
34 RPRRVHRIK 0.2
35 RPRRKWRIK 0.2
36 RPRRIHLIK 0.21
37 RKWRIWRIK 0.21
38 RKWRIWKIK 0.21
39 RKFRIWKIK 0.21
40 RPWRVWKIK 0.21
41 RPFRVWKIK 0.22
42 RPWRVWRIK 0.22
43 RPFRVWRIK 0.22
44 RKFRIWRIK 0.22
45 RRRRIHKIK 0.23
46 RPWRIWLIK 0.23
47 RPWRIHKRK 0.23
48 RRRRIHRIK 0.23
49 RPFRIWLIK 0.23
50 RPRRIHKKK 0.24
51 RPRRKHKIK 0.24
52 RKRRIWKRK 0.24
53 RPFRIHKRK 0.24
54 RPWRIHRRK 0.24
55 RRWRIWKIK 0.24
56 RPRRVWKRK 0.25
57 RRFRIWKIK 0.25
58 RKRRIWRRK 0.25
59 RRWRIWRIK 0.25
60 RPRRIHRKK 0.25
61 RPRRVWRRK 0.25
62 RPFRIHRRK 0.25
63 RPRRKHRIK 0.25
64 RRFRIWRIK 0.26
65 RPFRIWKKK 0.26
66 RPWRIWKKK 0.26
67 RPWRVHKIK 0.26
68 RPWRKWKIK 0.26
69 RKWRIHKIK 0.26
70 RKFRIHKIK 0.26
71 RPFRVHKIK 0.27
72 RKRRVWKIK 0.27
73 RPRRIWLRK 0.27
74 RPFRIWRKK 0.27
75 RKWRIHRIK 0.27
76 RPWRKWRIK 0.27
77 RPWRIWRKK 0.27
78 RKFRIHRIK 0.27
79 RPFRKWKIK 0.27
80 RPWRVHRIK 0.27
81 RPFRKWRIK 0.27
82 RPFRVHRIK 0.28
83 RPWRIHLIK 0.28
84 RRRRIWKRK 0.28
85 RKRRVWRIK 0.28
86 RRRRIWRRK 0.29
87 RPFRIHLIK 0.29
88 RKRRIWLIK 0.29
89 RPRRKWRRK 0.3
90 RPRRVHKRK 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRRIHRRK

1.86

-8.51

-6.65
2 RPWRIWKIK

2.45

-8.64

-6.19
3 RPRRKWKIK

3.09

-9.19

-6.1
4 RPRRVHKIK

2.26

-8.06

-5.8
5 RPFRIHRIK

2.18

-7.94

-5.76
6 RPRRIHRIK

1.96

-7.62

-5.66
7 RPRRIHKRK

2.79

-8.43

-5.64
8 RPFRIHKIK

2.35

-7.92

-5.57
9 RPRRVWRIK

2.92

-8.45

-5.53
10 RPWRIHRIK

2.55

-8.07

-5.52
11 RPRRIWLIK

1.68

-6.86

-5.18
12 RPRRIHKIK

2.97

-8.15

-5.18
13 RPWRIHKIK

2.57

-7.42

-4.85
14 RPRRVWKIK

1.84

-6.66

-4.82
15 RPFRIWKRK

2.14

-6.69

-4.55
16 RPRRIWKKK

1.84

-6.37

-4.53
17 RPRRIWRRK

2.05

-6.49

-4.44
18 RPFRIWRRK

2.7

-6.84

-4.14
19 RPWRIWKRK

4.29

-8.42

-4.13
20 RPRRIWKRK

2.4

-6.11

-3.71
21 RPRRIWRIK

2.14

-5.84

-3.7
22 RPWRIWRRK

3.57

-7.25

-3.68
23 RPFRIWKIK

2.66

-6.22

-3.56
24 RRRRIWKIK

2.16

-5.68

-3.52
25 RPFRIWRIK

1.56

-5.07

-3.51
26 RPWRIWRIK

2.42

-5.46

-3.04
27 RRRRIWRIK

2.43

-5.43

-3.0
28 RPRRIWKIK

2.2

-4.72

-2.52
29 RKRRIWKIK

1.76

-4.13

-2.37
30 RKRRIWRIK

2.47

-4.28

-1.81

 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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