Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-7.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala A G 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 1.184 ΔGbinding -0.792
TOTAL
 0.392
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.299
Van der Waals -3.030 Backbone clash 0.006
Electrostatics 0.532 Helix dipole 0.000
Solvation Polar 3.186 Water bridges -0.061
Solvation Hyd -4.495 Disulfide 0.000
VdW clashes 0.178 Electrost. Kon 0.473
Entropy sc 0.472 Part.cov.bonds 0.000
Entropy mc

1.654

 ΔGstability

10.041
       

Predicted ligand sequences for model [BBC1_1ZUK2-7.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_1ZUK2-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WHKIHYKR 0.0
2 WHRIHYKR 0.0
3 WHPIHYKR 0.07
4 WHKIHWKR 0.12
5 WHRIHWKR 0.12
6 WRKIHYKR 0.13
7 WRRIHYKR 0.13
8 WHPIHWKR 0.19
9 WRPIHYKR 0.2
10 WRRIHWKR 0.24
11 WRKIHWKR 0.24
12 WHRIHYRR 0.27
13 WHKIHYRR 0.28
14 WRPIHWKR 0.32
15 WHPIHYRR 0.35
16 VHKIHYKR 0.38
17 VHRIHYKR 0.38
18 WHKIHWRR 0.39
19 WHRIHWRR 0.39
20 WRKIHYRR 0.4
21 WRRIHYRR 0.4
22 WMRIHYKR 0.41
23 WMKIHYKR 0.41
24 IHRIHYKR 0.44
25 IHKIHYKR 0.44
26 VHPIHYKR 0.45
27 WHPIHWRR 0.46
28 WHKRHYKR 0.47
29 WHRRHYKR 0.47
30 WRPIHYRR 0.48
31 WMPIHYKR 0.49
32 VHKIHWKR 0.49
33 VHRIHWKR 0.49
34 VRRIHYKR 0.5
35 IHPIHYKR 0.51
36 VRKIHYKR 0.51
37 WRRIHWRR 0.52
38 WRKIHWRR 0.52
39 WMRIHWKR 0.53
40 WMKIHWKR 0.53
41 WHPRHYKR 0.54
42 IHRIHWKR 0.55
43 IHKIHWKR 0.56
44 VHPIHWKR 0.57
45 IRRIHYKR 0.57
46 IRKIHYKR 0.57
47 WHRRHWKR 0.58
48 VRPIHYKR 0.58
49 WHKRHWKR 0.58
50 WRRRHYKR 0.59
51 WRPIHWRR 0.59
52 WRKRHYKR 0.6
53 WMPIHWKR 0.6
54 VRKIHWKR 0.62
55 VRRIHWKR 0.62
56 IHPIHWKR 0.63
57 IRPIHYKR 0.64
58 VHKIHYRR 0.65
59 VHRIHYRR 0.65
60 WHPRHWKR 0.66
61 WRPRHYKR 0.67
62 IRKIHWKR 0.68
63 IRRIHWKR 0.68
64 WMRIHYRR 0.69
65 VRPIHWKR 0.69
66 WMKIHYRR 0.69
67 WRKRHWKR 0.71
68 WRRRHWKR 0.71
69 IHRIHYRR 0.71
70 IHKIHYRR 0.71
71 VHPIHYRR 0.73
72 WHKRHYRR 0.74
73 WHRRHYRR 0.74
74 WMPIHYRR 0.76
75 IRPIHWKR 0.76
76 VHKIHWRR 0.77
77 VHRIHWRR 0.77
78 VRRIHYRR 0.78
79 VRKIHYRR 0.78
80 VMRIHYKR 0.79
81 WRPRHWKR 0.79
82 IHPIHYRR 0.79
83 VMKIHYKR 0.79
84 WMRIHWRR 0.8
85 WMKIHWRR 0.8
86 WHPRHYRR 0.82
87 IHKIHWRR 0.83
88 IHRIHWRR 0.83
89 VHRRHYKR 0.84
90 IRRIHYRR 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRIHYRR

2.38

-9.76

-7.38
2 WHRIHYRR

2.41

-9.21

-6.8
3 WHPIHYRR

3.51

-9.28

-5.77
4 WRKIHYRR

2.49

-8.26

-5.77
5 WHKIHWRR

2.84

-8.54

-5.7
6 WRPIHYRR

2.8

-7.69

-4.89
7 WHRIHWRR

3.25

-8.11

-4.86
8 WRKIHWKR

2.22

-6.78

-4.56
9 WHKIHYRR

4.08

-8.59

-4.51
10 WMRIHYKR

2.82

-7.23

-4.41
11 VHPIHYKR

2.28

-6.46

-4.18
12 WRRIHWKR

2.42

-6.41

-3.99
13 WRKIHYKR

3.07

-7.06

-3.99
14 WRPIHWKR

2.09

-5.86

-3.77
15 WHRIHYKR

2.63

-6.3

-3.67
16 WHPIHWRR

2.36

-6.0

-3.64
17 WRRIHYKR

2.81

-6.44

-3.63
18 VHRIHYKR

2.17

-5.61

-3.44
19 WHKIHWKR

2.42

-5.59

-3.17
20 WHRIHWKR

2.31

-5.45

-3.14
21 WRPIHYKR

2.23

-5.35

-3.12
22 VHKIHYKR

2.51

-5.51

-3.0
23 WHPIHYKR

2.65

-5.58

-2.93
24 WHKIHYKR

3.16

-5.82

-2.66
25 WHPIHWKR

3.3

-5.63

-2.33
26 WHKRHYKR

3.37

-5.53

-2.16
27 WMKIHYKR

3.31

-5.4

-2.09
28 IHKIHYKR

2.16

-4.1

-1.94
29 WHRRHYKR

4.09

-6.0

-1.91
30 IHRIHYKR

2.84

-3.19

-0.35

 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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