Predicted ligand sequences


ADAN-name: 1M272.PDB (view again the scoring matrix)

PDB name: [1M27.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K S L T I Y A Q V Q K
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
 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 2.159 ΔGbinding -15.540
TOTAL
 -13.381
Backbone Hb -10.070 Cis_bond 0.000
Sidechain Hb -3.170 Torsional clash 0.120
Van der Waals -16.480 Backbone clash 1.720
Electrostatics -1.480 Helix dipole 0.050
Solvation Polar 22.510 Water bridges -1.150
Solvation Hyd -20.910 Disulfide 0.000
VdW clashes 0.470 Electrost. Kon -0.620
Entropy sc 7.150 Part.cov.bonds 0.000
Entropy mc

8.050

 ΔGstability

135.640
       

Predicted ligand sequences for template [1M272.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).
 
  1M272.PDB  

(data)
# Predicted Sequences Value Calculate
1 RNLDMMFMLFN 0.0
2 RNLDMMFMLyN 0.03
3 GNLDMMFMLFN 0.04
4 RNLDMMFMLMN 0.04
5 ANLDMMFMLFN 0.04
6 RNLDLMFMLFN 0.06
7 RNRDMMFMLFN 0.07
8 GNLDMMFMLyN 0.07
9 RNMDMMFMLFN 0.07
10 ANLDMMFMLyN 0.07
11 GNLDMMFMLMN 0.08
12 ANLDMMFMLMN 0.08
13 RNMDMMFMLyN 0.09
14 RNLDLMFMLyN 0.09
15 RNRDMMFMLyN 0.1
16 GNLDLMFMLFN 0.1
17 ANLDLMFMLFN 0.1
18 RNLDLMFMLMN 0.1
19 RNMDMMFMLMN 0.11
20 GNMDMMFMLFN 0.11
21 ANRDMMFMLFN 0.11
22 ANMDMMFMLFN 0.11
23 GNRDMMFMLFN 0.11
24 RNRDMMFMLMN 0.12
25 GNLDLMFMLyN 0.13
26 ANMDMMFMLyN 0.13
27 GNMDMMFMLyN 0.13
28 RNMDLMFMLFN 0.13
29 ANLDLMFMLyN 0.13
30 RNRDLMFMLFN 0.14
31 ANRDMMFMLyN 0.14
32 ANLDLMFMLMN 0.14
33 GNLDLMFMLMN 0.14
34 GNRDMMFMLyN 0.14
35 GNMDMMFMLMN 0.15
36 ANMDMMFMLMN 0.15
37 ANRDMMFMLMN 0.16
38 RNLDMMMMLFN 0.16
39 GNRDMMFMLMN 0.16
40 RNMDLMFMLyN 0.16
41 RNRDLMFMLyN 0.16
42 RNLDMyFMLFN 0.16
43 RNMDLMFMLMN 0.17
44 GNMDLMFMLFN 0.17
45 ANMDLMFMLFN 0.17
46 RNLDMMMMLyN 0.18
47 ANRDLMFMLFN 0.18
48 GNRDLMFMLFN 0.18
49 RNRDLMFMLMN 0.18
50 RNLDMMLMLFN 0.18
51 RNLDMLFMLFN 0.19
52 RNLDMyFMLyN 0.19
53 GNRDLMFMLyN 0.2
54 ANLDMyFMLFN 0.2
55 RNLDMyFMLMN 0.2
56 GNMDLMFMLyN 0.2
57 ANLDMMMMLFN 0.2
58 RNLDMMMMLMN 0.2
59 GNLDMMMMLFN 0.2
60 GNLDMyFMLFN 0.2
61 ANRDLMFMLyN 0.2
62 ANMDLMFMLyN 0.2
63 RNLDMMLMLyN 0.2
64 RNLDMLFMLyN 0.21
65 RNLDIMFMLFN 0.21
66 GNMDLMFMLMN 0.21
67 ANMDLMFMLMN 0.21
68 RNLDLyFMLFN 0.22
69 ANLDMMLMLFN 0.22
70 RNLDMMLMLMN 0.22
71 GNRDLMFMLMN 0.22
72 RQLDMMFMLFN 0.22
73 RNLDLMMMLFN 0.22
74 GNLDMMMMLyN 0.22
75 ANRDLMFMLMN 0.22
76 RNMDMMMMLFN 0.22
77 ANLDMMMMLyN 0.22
78 GNLDMMLMLFN 0.22
79 GNLDMyFMLyN 0.23
80 ANLDMLFMLFN 0.23
81 RNLDMMFLLFN 0.23
82 GNLDMLFMLFN 0.23
83 ANLDMyFMLyN 0.23
84 RNMDMyFMLFN 0.23
85 RNRDMyFMLFN 0.23
86 RNRDMMMMLFN 0.23
87 RNLDMLFMLMN 0.23
88 ANLDMMLMLyN 0.24
89 ANLDMMMMLMN 0.24
90 GNLDMMMMLMN 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ANMDMMFMLyN

2.65

-21.27

-18.62
2 RNRDLMFMLFN

1.73

-19.78

-18.05
3 RNRDMMFMLMN

1.83

-19.44

-17.61
4 RNMDMMFMLFN

3.02

-20.63

-17.61
5 RNLDMMFMLMN

2.1

-19.32

-17.22
6 GNMDMMFMLyN

1.92

-18.98

-17.06
7 ANLDLMFMLFN

2.22

-18.94

-16.72
8 RNMDLMFMLFN

2.77

-19.47

-16.7
9 GNRDMMFMLFN

2.37

-19.03

-16.66
10 RNRDMMFMLyN

2.69

-19.31

-16.62
11 GNLDMMFMLFN

2.02

-18.63

-16.61
12 ANMDMMFMLFN

2.31

-18.82

-16.51
13 RNLDMMFMLyN

3.45

-19.76

-16.31
14 RNLDMMFMLFN

2.26

-18.54

-16.28
15 RNLDLMFMLMN

2.58

-18.5

-15.92
16 GNLDLMFMLFN

2.5

-18.29

-15.79
17 RNLDLMFMLFN

2.76

-18.33

-15.57
18 GNLDMMFMLyN

1.56

-17.09

-15.53
19 RNMDMMFMLyN

2.41

-17.93

-15.52
20 ANLDMMFMLMN

1.5

-16.9

-15.4
21 ANLDLMFMLyN

3.31

-18.64

-15.33
22 RNMDMMFMLMN

3.23

-18.51

-15.28
23 GNLDMMFMLMN

2.94

-18.2

-15.26
24 ANRDMMFMLFN

3.28

-18.28

-15.0
25 ANLDMMFMLFN

2.36

-17.34

-14.98
26 RNLDLMFMLyN

2.16

-17.0

-14.84
27 ANLDMMFMLyN

3.25

-17.82

-14.57
28 GNLDLMFMLyN

2.08

-16.39

-14.31
29 GNMDMMFMLFN

2.57

-16.47

-13.9
30 RNRDMMFMLFN

2.69

-16.18

-13.49

 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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