Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-27.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
G
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 0.283 ΔGbinding 3.311
TOTAL
 3.594
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.180
Van der Waals -4.272 Backbone clash 0.006
Electrostatics -0.173 Helix dipole 0.000
Solvation Polar 5.203 Water bridges -0.004
Solvation Hyd -5.388 Disulfide 0.000
VdW clashes 7.524 Electrost. Kon -0.208
Entropy sc 0.835 Part.cov.bonds 0.000
Entropy mc

2.163

 ΔGstability

15.220
       

Predicted ligand sequences for model [ABP1_1JO8-27.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).
 
  ABP1_1JO8-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKPRPKWR 0.0
2 RRKPRPKWK 0.01
3 RRKPRPKRR 0.01
4 RRKPRPKRK 0.02
5 RRKPRLKWR 0.19
6 RRKPRPKWY 0.2
7 RRKPRPKWW 0.2
8 RRKPRPKRW 0.2
9 RRKPRPKRY 0.2
10 RRKPRLKWK 0.2
11 RRKPRRKWR 0.2
12 RRKPRRKRR 0.2
13 RRKPRLKRR 0.2
14 RRKPRRKWK 0.21
15 RRKPRLKRK 0.21
16 RRKPRRKRK 0.21
17 RRKPRKKWR 0.24
18 RRKPRKKRR 0.25
19 RRKPRKKWK 0.25
20 RRKPRKKRK 0.26
21 RRRPRPKWR 0.3
22 RRRPRPKRR 0.3
23 RRRPRPKWK 0.31
24 RRRPRPKRK 0.32
25 KRKPRPKWR 0.35
26 KRKPRPKRR 0.35
27 KRKPRPKWK 0.36
28 KRKPRPKRK 0.36
29 RRKPRRKWY 0.39
30 RRKPRRKWW 0.39
31 RRKPRLKWW 0.39
32 RRKPRLKWY 0.39
33 RRKPRLKRY 0.39
34 RRKPRLKRW 0.4
35 RRKPRRKRW 0.4
36 RRKPRRKRY 0.4
37 RRKPRKKRY 0.44
38 RRKPRKKWW 0.44
39 RRKPRKKWY 0.44
40 RRKPRKKRW 0.45
41 RRRPRPKWY 0.49
42 RRRPRRKWR 0.49
43 RRRPRLKWR 0.49
44 RRRPRRKRR 0.5
45 RRRPRPKWW 0.5
46 RRRPRLKRR 0.5
47 RRRPRRKWK 0.5
48 RRRPRLKWK 0.5
49 RRRPRPKRY 0.5
50 RRRPRPKRW 0.5
51 RRRPRRKRK 0.51
52 RRRPRLKRK 0.51
53 KRKPRLKWR 0.54
54 KRKPRPKWY 0.54
55 RRRPRKKWR 0.54
56 KRKPRRKWR 0.54
57 KRKPRLKRR 0.54
58 KRKPRLKWK 0.55
59 KRKPRPKWW 0.55
60 RRRPRKKWK 0.55
61 RRRPRKKRR 0.55
62 KRKPRRKWK 0.55
63 KRKPRPKRW 0.55
64 KRKPRPKRY 0.55
65 KRKPRRKRR 0.55
66 KRKPRLKRK 0.55
67 RRRPRKKRK 0.56
68 KRKPRRKRK 0.56
69 KRKPRKKWR 0.59
70 KRKPRKKWK 0.6
71 KRKPRKKRR 0.6
72 KRKPRKKRK 0.61
73 KRRPRPKWR 0.65
74 KRRPRPKRR 0.65
75 KRRPRPKWK 0.66
76 KRRPRPKRK 0.66
77 RRRPRLKRY 0.69
78 RRRPRLKRW 0.69
79 RRRPRRKWY 0.69
80 RRRPRLKWW 0.69
81 RRRPRRKWW 0.69
82 RRRPRLKWY 0.69
83 RRRPRRKRW 0.7
84 RRRPRRKRY 0.7
85 KRKPRLKWY 0.73
86 KRKPRLKWW 0.74
87 RRRPRKKWW 0.74
88 RRRPRKKWY 0.74
89 RRRPRKKRY 0.74
90 RRRPRKKRW 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRPRPKRR

3.97

-12.17

-8.2
2 RRKPRPKRR

2.67

-10.29

-7.62
3 RRKPRKKRR

3.0

-10.16

-7.16
4 RRKPRPKRW

3.26

-10.17

-6.91
5 RRKPRLKRR

2.72

-9.53

-6.81
6 RRKPRRKRR

3.04

-9.74

-6.7
7 RRKPRLKRK

2.91

-9.59

-6.68
8 RRKPRPKRY

3.68

-10.3

-6.62
9 RRKPRKKRK

2.96

-9.17

-6.21
10 RRKPRRKWR

2.97

-9.07

-6.1
11 RRKPRPKWR

2.64

-8.46

-5.82
12 RRKPRPKRK

4.17

-9.89

-5.72
13 RRKPRKKWK

3.01

-8.7

-5.69
14 RRKPRPKWK

3.04

-8.72

-5.68
15 RRKPRPKWY

2.74

-8.4

-5.66
16 RRKPRRKRK

3.51

-9.16

-5.65
17 RRKPRRKWW

2.83

-8.47

-5.64
18 RRKPRRKWY

3.11

-8.71

-5.6
19 RRKPRKKWR

2.64

-8.02

-5.38
20 RRKPRLKWR

2.79

-8.14

-5.35
21 RRRPRPKRK

3.83

-9.08

-5.25
22 RRKPRLKWK

2.62

-7.49

-4.87
23 KRKPRPKRK

3.44

-8.3

-4.86
24 RRRPRPKWK

2.82

-7.68

-4.86
25 KRKPRPKRR

3.77

-8.57

-4.8
26 RRKPRRKWK

3.05

-7.84

-4.79
27 RRRPRPKWR

2.91

-7.61

-4.7
28 KRKPRPKWK

2.72

-7.37

-4.65
29 RRKPRPKWW

3.58

-8.08

-4.5
30 KRKPRPKWR

2.73

-6.84

-4.11

 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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