Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-8.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
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 0.703 ΔGbinding 1.952
TOTAL
 2.655
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.558
Van der Waals -3.248 Backbone clash 0.073
Electrostatics 0.472 Helix dipole 0.000
Solvation Polar 2.771 Water bridges -0.169
Solvation Hyd -4.754 Disulfide 0.000
VdW clashes 2.904 Electrost. Kon 0.487
Entropy sc 0.105 Part.cov.bonds 0.000
Entropy mc

2.825

 ΔGstability

49.073
       

Predicted ligand sequences for model [BUD14_1SEM-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMRWWYRF 0.0
2 EMRWWYRF 0.01
3 WMRWWYRF 0.01
4 DMRYWYRF 0.05
5 EMRYWYRF 0.05
6 WMRYWYRF 0.06
7 DMRWMYRF 0.12
8 EMRWMYRF 0.13
9 WMRWMYRF 0.14
10 DMRYMYRF 0.17
11 DMPWWYRF 0.17
12 WMPWWYRF 0.18
13 WMRYMYRF 0.18
14 EMRYMYRF 0.18
15 EMPWWYRF 0.18
16 DMPYWYRF 0.22
17 EMPYWYRF 0.23
18 WMPYWYRF 0.23
19 DNRWWYRF 0.27
20 DMRFWYRF 0.28
21 WNRWWYRF 0.28
22 ENRWWYRF 0.28
23 EMRFWYRF 0.29
24 WMRFWYRF 0.29
25 DMPWMYRF 0.3
26 EMPWMYRF 0.3
27 WMPWMYRF 0.31
28 DNRYWYRF 0.31
29 ENRYWYRF 0.32
30 WNRYWYRF 0.33
31 DMPYMYRF 0.34
32 EMPYMYRF 0.35
33 WMPYMYRF 0.35
34 DNRWMYRF 0.39
35 ENRWMYRF 0.4
36 WNRWMYRF 0.4
37 DMRFMYRF 0.41
38 EMRFMYRF 0.41
39 DMKWWYRF 0.42
40 WMRFMYRF 0.42
41 WMKWWYRF 0.43
42 EMKWWYRF 0.43
43 DNPWWYRF 0.44
44 DNRYMYRF 0.44
45 WNRYMYRF 0.45
46 ENPWWYRF 0.45
47 ENRYMYRF 0.45
48 WNPWWYRF 0.45
49 EMPFWYRF 0.46
50 DMPFWYRF 0.46
51 EMKYWYRF 0.47
52 WMPFWYRF 0.47
53 DMKYWYRF 0.47
54 WMKYWYRF 0.48
55 DNPYWYRF 0.49
56 ENPYWYRF 0.49
57 WNPYWYRF 0.5
58 DMKWMYRF 0.54
59 DNRFWYRF 0.55
60 EMKWMYRF 0.55
61 WMKWMYRF 0.56
62 ENRFWYRF 0.56
63 WNRFWYRF 0.56
64 DNPWMYRF 0.56
65 ENPWMYRF 0.57
66 DMPFMYRF 0.58
67 WNPWMYRF 0.58
68 DMKYMYRF 0.59
69 WMPFMYRF 0.59
70 EMPFMYRF 0.59
71 WMKYMYRF 0.6
72 EMKYMYRF 0.6
73 DNPYMYRF 0.61
74 ENPYMYRF 0.62
75 WNPYMYRF 0.62
76 DNRFMYRF 0.67
77 ENRFMYRF 0.68
78 DNKWWYRF 0.69
79 WNRFMYRF 0.69
80 WNKWWYRF 0.7
81 DMKFWYRF 0.7
82 ENKWWYRF 0.7
83 EMKFWYRF 0.71
84 WMKFWYRF 0.71
85 DNPFWYRF 0.72
86 DNKYWYRF 0.73
87 ENPFWYRF 0.73
88 WNPFWYRF 0.74
89 ENKYWYRF 0.74
90 WNKYWYRF 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMPWMYRF

1.94

-8.24

-6.3
2 EMPWMYRF

2.49

-7.84

-5.35
3 DMPWMYRF

1.89

-7.16

-5.27
4 DMRWMYRF

2.81

-7.72

-4.91
5 EMPWWYRF

2.96

-7.8

-4.84
6 DMRYMYRF

2.89

-7.65

-4.76
7 WMPYWYRF

2.24

-6.92

-4.68
8 EMRYWYRF

3.22

-7.64

-4.42
9 WMRWMYRF

2.84

-7.22

-4.38
10 DMRWWYRF

2.48

-6.82

-4.34
11 EMRYMYRF

4.39

-8.57

-4.18
12 EMRWWYRF

3.07

-7.16

-4.09
13 DNRYWYRF

2.66

-6.72

-4.06
14 DMPWWYRF

2.43

-6.43

-4.0
15 WMRWWYRF

2.35

-6.23

-3.88
16 WMRYMYRF

2.18

-5.99

-3.81
17 DMPYWYRF

3.18

-6.83

-3.65
18 ENRYWYRF

2.69

-6.24

-3.55
19 EMRWMYRF

3.66

-7.15

-3.49
20 DNRWWYRF

3.26

-6.45

-3.19
21 ENRWWYRF

2.59

-5.59

-3.0
22 EMRFWYRF

3.07

-5.65

-2.58
23 EMPYWYRF

3.2

-5.71

-2.51
24 WNRYWYRF

2.32

-4.8

-2.48
25 DMRYWYRF

3.83

-6.26

-2.43
26 WNRWWYRF

3.05

-5.22

-2.17
27 WMRFWYRF

2.57

-4.71

-2.14
28 DMRFWYRF

3.54

-5.47

-1.93
29 WMPWWYRF

3.05

-4.88

-1.83
30 WMRYWYRF

2.63

-4.15

-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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