Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-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 6.455 ΔGbinding 1.307
TOTAL
 7.762
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.666
Van der Waals -3.661 Backbone clash 0.299
Electrostatics 0.219 Helix dipole 0.000
Solvation Polar 4.471 Water bridges -0.000
Solvation Hyd -4.967 Disulfide 0.000
VdW clashes 1.230 Electrost. Kon 0.198
Entropy sc 0.399 Part.cov.bonds 0.000
Entropy mc

2.752

 ΔGstability

54.019
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-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).
 
  BEM1-D1_JO8-QCF-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLNSIEM 0.0
2 RPPLNGIEM 0.07
3 RPFLNSIEM 0.09
4 RPPLNSIEW 0.14
5 RPFLNGIEM 0.15
6 RPYLNSIEM 0.15
7 RPPLNGIEW 0.2
8 RPYLNGIEM 0.21
9 RPPLNSIQM 0.22
10 RPFLNSIEW 0.22
11 RSPLNSIEM 0.26
12 RPYLNSIEW 0.28
13 RPPLNGIQM 0.28
14 RPFLNGIEW 0.29
15 RFPLNSIEM 0.3
16 RPFLNSIQM 0.31
17 RSPLNGIEM 0.33
18 RSFLNSIEM 0.35
19 RPPLNSREM 0.35
20 RPYLNGIEW 0.35
21 RPPLNSIQW 0.36
22 RFPLNGIEM 0.36
23 RPFLNGIQM 0.37
24 RPYLNSIQM 0.37
25 RFFLNSIEM 0.39
26 RSPLNSIEW 0.4
27 RPPINSIEM 0.4
28 RPPLNGREM 0.41
29 RSFLNGIEM 0.41
30 RSYLNSIEM 0.41
31 RPPLNGIQW 0.42
32 RPYLNGIQM 0.43
33 RPFLNSREM 0.43
34 RFPLNSIEW 0.44
35 RPFLNSIQW 0.44
36 RFYLNSIEM 0.45
37 RFFLNGIEM 0.45
38 RSPLNGIEW 0.46
39 RPPLNSHEM 0.46
40 RSYLNGIEM 0.47
41 RPPINGIEM 0.47
42 RSFLNSIEW 0.48
43 RSPLNSIQM 0.48
44 RPPLNSREW 0.48
45 RPYLNSREM 0.49
46 RPFINSIEM 0.49
47 RPPLNSIFM 0.49
48 RPFLNGREM 0.5
49 RFPLNGIEW 0.5
50 RPYLNSIQW 0.5
51 RPFLNGIQW 0.51
52 RFYLNGIEM 0.51
53 RFFLNSIEW 0.52
54 RFPLNSIQM 0.52
55 RPPLNGHEM 0.53
56 RSPLNGIQM 0.54
57 RSYLNSIEW 0.54
58 RPPINSIEW 0.54
59 RPPLNGREW 0.55
60 RPYINSIEM 0.55
61 RSFLNGIEW 0.55
62 RPFLNSHEM 0.55
63 RPPLNSRQM 0.56
64 RPPLNGIFM 0.56
65 RPFINGIEM 0.56
66 RPYLNGREM 0.56
67 RSFLNSIQM 0.57
68 RPYLNGIQW 0.57
69 RPFLNSREW 0.57
70 RFYLNSIEW 0.58
71 RPFLNSIFM 0.58
72 RFPLNGIQM 0.58
73 RFFLNGIEW 0.59
74 RFFLNSIQM 0.6
75 RPPLNSHEW 0.6
76 RSYLNGIEW 0.61
77 RPPINGIEW 0.61
78 RPYLNSHEM 0.61
79 RSPLNSREM 0.61
80 RSPLNSIQW 0.62
81 RPYINGIEM 0.62
82 RPFLNGHEM 0.62
83 RPPINSIQM 0.62
84 RPYLNSREW 0.63
85 RSYLNSIQM 0.63
86 RSFLNGIQM 0.63
87 RPFINSIEW 0.63
88 RPPLNGRQM 0.63
89 RPPLNSIFW 0.63
90 RPFLNGREW 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPPLNGIQM

3.82

-8.01

-4.19
2 RPPLNGREM

3.79

-7.6

-3.81
3 RPFLNGIQM

3.58

-7.31

-3.73
4 RPPLNGIEM

3.3

-6.63

-3.33
5 RPFLNGIEM

3.61

-6.51

-2.9
6 RPYLNGIEM

3.72

-6.51

-2.79
7 RFPLNGIEM

3.04

-5.38

-2.34
8 RPFLNSIQM

5.6

-7.61

-2.01
9 RPPLNSREM

5.58

-7.37

-1.79
10 RPPLNSIQM

5.56

-7.12

-1.56
11 RSFLNGIEM

3.39

-4.92

-1.53
12 RSPLNGIEM

3.55

-4.8

-1.25
13 RPPLNSIQW

5.89

-7.0

-1.11
14 RPYLNSIQM

5.45

-6.55

-1.1
15 RPPLNSIEM

5.64

-6.39

-0.75
16 RPYLNSIEM

5.46

-6.2

-0.74
17 RPFLNSIEM

5.34

-6.08

-0.74
18 RFFLNSIEM

5.43

-5.42

0.01
19 RPPINSIEM

5.54

-5.45

0.09
20 RPPLNGIEW

3.39

-3.1

0.29
21 RSYLNSIEM

5.63

-5.23

0.4
22 RSPLNSIEM

5.71

-4.9

0.81
23 RPYLNSIEW

5.91

-5.06

0.85
24 RFPLNSIEM

6.46

-5.46

1.0
25 RPYLNGIEW

4.15

-3.14

1.01
26 RSFLNSIEM

5.56

-4.36

1.2
27 RPFLNGIEW

4.9

-2.73

2.17
28 RSPLNSIEW

5.91

-3.66

2.25
29 RPFLNSIEW

5.4

-2.92

2.48
30 RPPLNSIEW

6.08

-3.28

2.8

 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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