Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-29.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 10
poly-Ala
A
 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 0.564 ΔGbinding -2.648
TOTAL
 -2.084
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.328
Van der Waals -3.313 Backbone clash 0.000
Electrostatics 0.036 Helix dipole 0.000
Solvation Polar 3.336 Water bridges -0.002
Solvation Hyd -4.686 Disulfide 0.000
VdW clashes 0.104 Electrost. Kon -0.036
Entropy sc 0.514 Part.cov.bonds 0.000
Entropy mc

2.344

 ΔGstability

9.230
       

Predicted ligand sequences for model [ABP1_1JO8-29.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_1JO8-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPRRKRRR 0.0
2 KYPPRRKRRR 0.06
3 HYPMRRKRRR 0.08
4 RYPPRRKRRR 0.09
5 HYPWRRKRRR 0.1
6 KYPMRRKRRR 0.15
7 KYPWRRKRRR 0.16
8 RYPMRRKRRR 0.17
9 RYPWRRKRRR 0.18
10 HRPPRRKRRR 0.21
11 HYPPRRKRRH 0.26
12 HYPPRRPRRR 0.27
13 KRPPRRKRRR 0.28
14 RRPPRRKRRR 0.3
15 HRPMRRKRRR 0.3
16 HRPWRRKRRR 0.31
17 KYPPRRKRRH 0.32
18 HYPPRRKRRK 0.32
19 KYPPRRPRRR 0.33
20 HIPPRRKRRR 0.34
21 HYPMRRKRRH 0.34
22 RYPPRRKRRH 0.34
23 RYPPRRPRRR 0.35
24 HYPMRRPRRR 0.35
25 HYPWRRKRRH 0.35
26 KRPMRRKRRR 0.36
27 HYPWRRPRRR 0.36
28 KRPWRRKRRR 0.37
29 KYPPRRKRRK 0.38
30 RRPMRRKRRR 0.38
31 RRPWRRKRRR 0.39
32 HYPMRRKRRK 0.4
33 RYPPRRKRRK 0.4
34 KYPMRRKRRH 0.41
35 KYPMRRPRRR 0.41
36 KIPPRRKRRR 0.41
37 HYPWRRKRRK 0.41
38 KYPWRRKRRH 0.42
39 RYPMRRKRRH 0.43
40 KYPWRRPRRR 0.43
41 HIPMRRKRRR 0.43
42 RIPPRRKRRR 0.43
43 RYPWRRKRRH 0.44
44 HIPWRRKRRR 0.44
45 RYPMRRPRRR 0.44
46 RYPWRRPRRR 0.45
47 KYPMRRKRRK 0.46
48 HRPPRRKRRH 0.47
49 KYPWRRKRRK 0.47
50 RYPMRRKRRK 0.48
51 HRPPRRPRRR 0.48
52 KIPMRRKRRR 0.49
53 RYPWRRKRRK 0.5
54 KIPWRRKRRR 0.5
55 RIPMRRKRRR 0.51
56 RIPWRRKRRR 0.52
57 HRPPRRKRRK 0.53
58 HYPPRRPRRH 0.53
59 KRPPRRKRRH 0.54
60 KRPPRRPRRR 0.54
61 RRPPRRPRRR 0.56
62 RRPPRRKRRH 0.56
63 HRPMRRPRRR 0.56
64 HRPMRRKRRH 0.56
65 HRPWRRKRRH 0.57
66 HRPWRRPRRR 0.57
67 HYPPRRPRRK 0.58
68 KRPPRRKRRK 0.59
69 KYPPRRPRRH 0.59
70 HIPPRRKRRH 0.6
71 RYPPRRPRRH 0.61
72 RRPPRRKRRK 0.61
73 HYPMRRPRRH 0.61
74 HIPPRRPRRR 0.61
75 HRPMRRKRRK 0.61
76 HRPWRRKRRK 0.62
77 HYPWRRPRRH 0.62
78 KRPMRRKRRH 0.62
79 KRPWRRKRRH 0.63
80 KRPMRRPRRR 0.63
81 KRPWRRPRRR 0.64
82 RRPMRRKRRH 0.64
83 RRPWRRKRRH 0.65
84 RRPMRRPRRR 0.65
85 KYPPRRPRRK 0.65
86 HIPPRRKRRK 0.66
87 RRPWRRPRRR 0.66
88 KIPPRRKRRH 0.66
89 RYPPRRPRRK 0.67
90 KIPPRRPRRR 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPMRRKRRR

2.67

-20.13

-17.46
2 KRPPRRKRRR

2.89

-19.6

-16.71
3 KRPMRRKRRR

3.12

-19.62

-16.5
4 HIPPRRKRRR

2.11

-18.29

-16.18
5 KYPPRRKRRR

2.36

-17.9

-15.54
6 HRPMRRKRRR

2.55

-17.75

-15.2
7 KYPPRRPRRR

2.48

-17.62

-15.14
8 HYPMRRKRRH

2.13

-17.03

-14.9
9 HYPPRRKRRH

2.8

-17.67

-14.87
10 HRPPRRKRRR

1.62

-16.26

-14.64
11 HRPWRRKRRR

3.14

-17.52

-14.38
12 KRPWRRKRRR

1.77

-15.87

-14.1
13 KYPWRRKRRR

2.23

-15.93

-13.7
14 RYPWRRKRRR

2.13

-15.55

-13.42
15 KYPPRRKRRK

2.55

-15.85

-13.3
16 RYPMRRKRRR

1.8

-14.87

-13.07
17 HYPWRRKRRR

3.42

-16.42

-13.0
18 HYPPRRPRRR

2.43

-15.33

-12.9
19 RYPPRRPRRR

2.11

-14.98

-12.87
20 HYPPRRKRRK

2.04

-14.91

-12.87
21 RYPPRRKRRH

1.76

-14.6

-12.84
22 HYPPRRKRRR

1.93

-14.65

-12.72
23 KYPMRRKRRR

1.91

-14.07

-12.16
24 KYPPRRKRRH

1.61

-13.69

-12.08
25 HYPWRRKRRH

1.79

-13.68

-11.89
26 RRPPRRKRRR

2.29

-13.96

-11.67
27 HYPWRRPRRR

1.45

-13.06

-11.61
28 HYPMRRKRRR

1.97

-13.31

-11.34
29 HYPMRRPRRR

1.58

-12.56

-10.98
30 RYPPRRKRRR

1.55

-11.69

-10.14

 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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