Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-16.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
G
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 3.950 ΔGbinding 4.112
TOTAL
 8.062
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.268
Van der Waals -3.640 Backbone clash 0.395
Electrostatics 0.386 Helix dipole 0.000
Solvation Polar 4.254 Water bridges -0.162
Solvation Hyd -5.288 Disulfide 0.000
VdW clashes 3.106 Electrost. Kon 0.458
Entropy sc 0.537 Part.cov.bonds 0.000
Entropy mc

5.968

 ΔGstability

53.468
       

Predicted ligand sequences for model [BUD14_1SEM-16.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).
 
  BUD14_1SEM-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFPIWHKRN 0.0
2 MFWIWHKRN 0.09
3 MFPFWHKRN 0.11
4 MFHIWHKRN 0.12
5 MFFIWHKRN 0.13
6 HFPIWHKRN 0.17
7 MFWFWHKRN 0.21
8 MFFFWHKRN 0.24
9 MFHFWHKRN 0.24
10 MRPIWHKRN 0.24
11 RFPIWHKRN 0.24
12 HFWIWHKRN 0.26
13 FFPIWHKRN 0.27
14 HFPFWHKRN 0.29
15 HFHIWHKRN 0.29
16 MYPIWHKRN 0.3
17 HFFIWHKRN 0.3
18 MRWIWHKRN 0.33
19 RFWIWHKRN 0.33
20 RFPFWHKRN 0.35
21 RFHIWHKRN 0.36
22 MRPFWHKRN 0.36
23 RFFIWHKRN 0.36
24 FFWIWHKRN 0.36
25 MRFIWHKRN 0.37
26 MRHIWHKRN 0.37
27 MSPIWHKRN 0.38
28 HFWFWHKRN 0.38
29 FFPFWHKRN 0.38
30 FFHIWHKRN 0.39
31 MYWIWHKRN 0.39
32 FFFIWHKRN 0.4
33 MYPFWHKRN 0.41
34 HFHFWHKRN 0.41
35 HFFFWHKRN 0.41
36 HRPIWHKRN 0.42
37 MYFIWHKRN 0.42
38 MYHIWHKRN 0.42
39 RFWFWHKRN 0.44
40 MRWFWHKRN 0.45
41 FFWFWHKRN 0.47
42 RFHFWHKRN 0.47
43 MSWIWHKRN 0.47
44 HYPIWHKRN 0.47
45 MRFFWHKRN 0.48
46 MRHFWHKRN 0.48
47 RFFFWHKRN 0.48
48 RRPIWHKRN 0.48
49 MYWFWHKRN 0.5
50 MSPFWHKRN 0.5
51 MSHIWHKRN 0.51
52 MSFIWHKRN 0.51
53 FFFFWHKRN 0.51
54 FRPIWHKRN 0.51
55 HRWIWHKRN 0.51
56 FFHFWHKRN 0.51
57 RYPIWHKRN 0.53
58 HRPFWHKRN 0.53
59 MYHFWHKRN 0.53
60 HRHIWHKRN 0.54
61 HRFIWHKRN 0.54
62 MYFFWHKRN 0.54
63 HSPIWHKRN 0.55
64 HYWIWHKRN 0.56
65 RRWIWHKRN 0.57
66 FYPIWHKRN 0.57
67 HYPFWHKRN 0.58
68 MSWFWHKRN 0.59
69 RRPFWHKRN 0.59
70 HYHIWHKRN 0.59
71 RRHIWHKRN 0.6
72 HYFIWHKRN 0.6
73 FRWIWHKRN 0.6
74 RRFIWHKRN 0.61
75 HRWFWHKRN 0.62
76 RSPIWHKRN 0.62
77 MSHFWHKRN 0.62
78 RYWIWHKRN 0.62
79 MSFFWHKRN 0.62
80 FRPFWHKRN 0.63
81 FRHIWHKRN 0.64
82 FRFIWHKRN 0.64
83 HRHFWHKRN 0.65
84 HSWIWHKRN 0.65
85 FSPIWHKRN 0.65
86 RYPFWHKRN 0.65
87 RYFIWHKRN 0.66
88 HRFFWHKRN 0.66
89 FYWIWHKRN 0.66
90 RYHIWHKRN 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HFPFWHKRN

4.06

-4.43

-0.37
2 MRFIWHKRN

4.87

-5.23

-0.36
3 MFWIWHKRN

4.61

-4.95

-0.34
4 MFFIWHKRN

3.56

-3.89

-0.33
5 MSPIWHKRN

3.83

-4.04

-0.21
6 MRHIWHKRN

3.83

-4.03

-0.2
7 MFPFWHKRN

4.1

-4.26

-0.16
8 RFFIWHKRN

3.48

-3.62

-0.14
9 RFHIWHKRN

4.5

-4.64

-0.14
10 MFPIWHKRN

4.52

-4.58

-0.06
11 HFPIWHKRN

3.94

-3.9

0.04
12 MFHIWHKRN

3.71

-3.66

0.05
13 MFHFWHKRN

3.64

-3.52

0.12
14 HFWFWHKRN

3.99

-3.67

0.32
15 MRPFWHKRN

3.95

-3.51

0.44
16 MRWIWHKRN

4.79

-4.34

0.45
17 HFHIWHKRN

2.27

-1.5

0.77
18 RFWIWHKRN

4.86

-4.06

0.8
19 FFHIWHKRN

4.75

-3.94

0.81
20 MRPIWHKRN

4.86

-4.05

0.81
21 RFPFWHKRN

5.14

-4.32

0.82
22 FFPIWHKRN

5.58

-4.63

0.95
23 MFFFWHKRN

3.94

-2.89

1.05
24 RFPIWHKRN

3.9

-2.81

1.09
25 MYPIWHKRN

4.62

-3.43

1.19
26 HFWIWHKRN

4.56

-3.35

1.21
27 HFFIWHKRN

3.33

-2.08

1.25
28 FFWIWHKRN

3.76

-2.47

1.29
29 FFPFWHKRN

4.25

-2.74

1.51
30 MFWFWHKRN

4.83

-3.31

1.52

 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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