Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-18.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
G
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 5.495 ΔGbinding 4.641
TOTAL
 10.136
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.460
Van der Waals -4.295 Backbone clash 1.071
Electrostatics 0.319 Helix dipole 0.000
Solvation Polar 4.898 Water bridges -0.064
Solvation Hyd -5.856 Disulfide 0.000
VdW clashes 6.063 Electrost. Kon 0.227
Entropy sc 0.651 Part.cov.bonds 0.000
Entropy mc

3.513

 ΔGstability

43.230
       

Predicted ligand sequences for model [ABP1_1OV32-18.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_1OV32-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 KGRIRRKHFH 0.0
2 KGRIRRKHYH 0.08
3 KGRIRRWHFH 0.22
4 KGRIRSKHFH 0.25
5 YGRIRRKHFH 0.26
6 KGRMRRKHFH 0.29
7 KGRIRRWHYH 0.3
8 RGRIRRKHFH 0.32
9 KGRIRSKHYH 0.32
10 YGRIRRKHYH 0.33
11 KGRLRRKHFH 0.35
12 KGFIRRKHFH 0.37
13 KGRMRRKHYH 0.37
14 KGRIRRKHFF 0.4
15 RGRIRRKHYH 0.4
16 KGRLRRKHYH 0.42
17 KGRIRRKFFH 0.44
18 KGPIRRKHFH 0.45
19 KGFIRRKHYH 0.45
20 KGRIRSWHFH 0.47
21 KGRIKRKHFH 0.47
22 YGRIRRWHFH 0.48
23 KGRIRRKHYF 0.48
24 YGRIRSKHFH 0.5
25 KGRMRRWHFH 0.51
26 KGRIRRKFYH 0.52
27 KGPIRRKHYH 0.53
28 KGRMRSKHFH 0.54
29 RGRIRRWHFH 0.54
30 KGRIRSWHYH 0.55
31 KGRIKRKHYH 0.55
32 YGRIRRWHYH 0.55
33 YGRMRRKHFH 0.55
34 RGRIRSKHFH 0.57
35 KGRLRRWHFH 0.57
36 YGRIRSKHYH 0.58
37 KGRMRRWHYH 0.59
38 KGFIRRWHFH 0.59
39 KGRLRSKHFH 0.59
40 YGRLRRKHFH 0.6
41 RGRMRRKHFH 0.61
42 YGRMRRKHYH 0.62
43 RGRIRRWHYH 0.62
44 YGFIRRKHFH 0.62
45 KGRMRSKHYH 0.62
46 KGRIRRWHFF 0.62
47 KGFIRSKHFH 0.62
48 RGRIRSKHYH 0.64
49 KGRIRSKHFF 0.65
50 KGRLRRWHYH 0.65
51 YGRIRRKHFF 0.66
52 KGFMRRKHFH 0.66
53 RGRLRRKHFH 0.67
54 KGRLRSKHYH 0.67
55 KGRIRRWFFH 0.67
56 KGFIRRWHYH 0.67
57 KGPIRRWHFH 0.68
58 YGRLRRKHYH 0.68
59 RGFIRRKHFH 0.69
60 RGRMRRKHYH 0.69
61 KGRMRRKHFF 0.69
62 KGRIRSKFFH 0.69
63 KGFIRSKHYH 0.69
64 YGRIRRKFFH 0.7
65 YGFIRRKHYH 0.7
66 KGRIKRWHFH 0.7
67 KGRIRRWHYF 0.7
68 KGPIRSKHFH 0.7
69 YGPIRRKHFH 0.71
70 KGRIKSKHFH 0.72
71 RGRIRRKHFF 0.72
72 KGFLRRKHFH 0.72
73 YGRIRSWHFH 0.72
74 KGRMRRKFFH 0.73
75 YGRIKRKHFH 0.73
76 KGRIRSKHYF 0.73
77 YGRIRRKHYF 0.73
78 RGRLRRKHYH 0.74
79 KGRIRRWFYH 0.74
80 KGFMRRKHYH 0.74
81 KGPIRRWHYH 0.75
82 KGPMRRKHFH 0.75
83 KGRLRRKHFF 0.75
84 KGRMRSWHFH 0.76
85 RGRIRRKFFH 0.76
86 RGFIRRKHYH 0.77
87 KGRMKRKHFH 0.77
88 KGFIRRKHFF 0.77
89 RGPIRRKHFH 0.77
90 KGRIRSKFYH 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KGRIRRKFYH

2.57

-6.34

-3.77
2 KGRLRRKHFH

3.56

-7.21

-3.65
3 KGRIRRKFFH

3.02

-6.49

-3.47
4 KGRMRRKHYH

3.13

-6.55

-3.42
5 KGRIRSWHFH

2.42

-5.7

-3.28
6 KGFIRRKHFH

3.04

-6.06

-3.02
7 KGRMRSKHFH

3.85

-6.74

-2.89
8 KGRIRRKHFH

4.1

-6.9

-2.8
9 KGRMRRKHFH

4.31

-7.09

-2.78
10 KGRIRRKHFF

3.16

-5.92

-2.76
11 KGRIRSKHYH

3.25

-5.99

-2.74
12 KGRLRRKHYH

4.24

-6.96

-2.72
13 YGRIRRKHFH

3.26

-5.9

-2.64
14 KGRIRRKHYH

3.23

-5.85

-2.62
15 RGRIRRKHFH

4.35

-6.72

-2.37
16 RGRIRRKHYH

4.13

-6.49

-2.36
17 KGRIKRKHFH

4.0

-6.33

-2.33
18 KGRMRRWHFH

3.69

-5.98

-2.29
19 RGRIRRWHFH

4.05

-6.31

-2.26
20 KGRIRRWHFH

3.15

-5.33

-2.18
21 YGRIRRKHYH

3.11

-5.27

-2.16
22 KGRIRSKHFH

4.0

-6.15

-2.15
23 KGPIRRKHFH

4.21

-6.35

-2.14
24 YGRIRSKHFH

3.5

-5.24

-1.74
25 KGRIRRKHYF

4.05

-5.59

-1.54
26 KGRIRRWHYH

3.99

-5.32

-1.33
27 KGRIRSWHYH

3.25

-4.56

-1.31
28 KGPIRRKHYH

3.55

-4.82

-1.27
29 KGFIRRKHYH

3.81

-4.7

-0.89
30 YGRIRRWHFH

4.32

-4.37

-0.05

 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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