Predicted ligand sequences


ADAN-name: 1K2M2.PDB (view again the scoring matrix)

PDB name: [1K2M.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E D I y Y L D
position 1 2 3 4 5 6 7
poly-Ala 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 6.687 ΔGbinding -2.993
TOTAL
 3.694
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -1.775 Torsional clash 0.457
Van der Waals -5.417 Backbone clash 0.660
Electrostatics -1.807 Helix dipole 0.002
Solvation Polar 8.071 Water bridges -0.051
Solvation Hyd -5.970 Disulfide 0.000
VdW clashes 0.387 Electrost. Kon -1.728
Entropy sc 1.029 Part.cov.bonds 0.000
Entropy mc

3.809

 ΔGstability

182.226
       

Predicted ligand sequences for template [1K2M2.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).
 
  1K2M2.PDB  

(data)
# Predicted Sequences Value Calculate
1 sEsyDSR 0.0
2 sEsyDMR 0.0
3 DEsyDSR 0.08
4 DEsyDMR 0.08
5 sDsyDSR 0.1
6 EEsyDMR 0.1
7 sDsyDMR 0.1
8 EEsyDSR 0.1
9 sFsyDMR 0.14
10 sEsyDSF 0.15
11 sFsyDSR 0.15
12 sEsyDMF 0.15
13 sEsyDMN 0.15
14 sEsyDSN 0.16
15 sEEyDMR 0.16
16 sEEyDSR 0.16
17 sEDyDSR 0.17
18 sEDyDMR 0.17
19 DDsyDMR 0.17
20 DDsyDSR 0.18
21 EDsyDSR 0.2
22 EDsyDMR 0.2
23 DFsyDMR 0.22
24 DEsyDMF 0.22
25 DFsyDSR 0.23
26 DEEyDMR 0.23
27 DEsyDSF 0.23
28 DEsyDSN 0.23
29 DEsyDMN 0.23
30 DEEyDSR 0.24
31 EFsyDMR 0.24
32 EFsyDSR 0.25
33 sDsyDSF 0.25
34 DEDyDMR 0.25
35 EEsyDMF 0.25
36 EEsyDMN 0.25
37 EEEyDMR 0.25
38 sDsyDMF 0.25
39 EEsyDSF 0.25
40 sDsyDMN 0.25
41 DEDyDSR 0.25
42 sDEyDMR 0.25
43 sDsyDSN 0.26
44 EEEyDSR 0.26
45 EEsyDSN 0.26
46 sDEyDSR 0.26
47 EEDyDMR 0.27
48 EEDyDSR 0.27
49 sDDyDMR 0.27
50 sDDyDSR 0.27
51 sFsyDMF 0.29
52 sFEyDMR 0.3
53 sFsyDSN 0.3
54 sFsyDSF 0.3
55 sFEyDSR 0.3
56 sEEyDMF 0.3
57 sFsyDMN 0.3
58 sEEyDMN 0.31
59 sEEyDSF 0.31
60 sEEyDSN 0.31
61 sFDyDMR 0.31
62 sEDyDSF 0.32
63 sEDyDMF 0.32
64 sEDyDMN 0.32
65 DDsyDMF 0.32
66 sFDyDSR 0.32
67 sEDyDSN 0.33
68 DDsyDSF 0.33
69 DDsyDSN 0.33
70 DDEyDMR 0.33
71 DDEyDSR 0.33
72 DDsyDMN 0.33
73 DDDyDMR 0.34
74 EDsyDMF 0.34
75 EDsyDSN 0.35
76 EDsyDSF 0.35
77 EDEyDSR 0.35
78 EDEyDMR 0.35
79 DDDyDSR 0.35
80 EDsyDMN 0.35
81 EDDyDMR 0.36
82 EDDyDSR 0.37
83 DFsyDSF 0.37
84 DFsyDMF 0.37
85 DFsyDSN 0.38
86 DFsyDMN 0.38
87 DEEyDMF 0.38
88 DFEyDSR 0.38
89 DFEyDMR 0.38
90 DEDyDMF 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DEsyDSR

3.79

-6.87

-3.08
2 sEEyDSR

3.81

-6.32

-2.51
3 DEEyDSR

3.93

-6.38

-2.45
4 sEDyDMR

3.96

-5.98

-2.02
5 sEsyDSR

3.8

-5.7

-1.9
6 sEsyDSN

3.79

-5.44

-1.65
7 DDsyDSR

3.82

-5.34

-1.52
8 DEsyDSF

4.91

-6.4

-1.49
9 sDsyDSR

5.43

-5.8

-0.37
10 sEDyDSR

5.42

-5.6

-0.18
11 DFsyDSR

3.87

-3.93

-0.06
12 sEsyDMN

4.06

-4.11

-0.05
13 DEsyDSN

7.64

-7.47

0.17
14 sEEyDMR

5.49

-5.07

0.42
15 DEEyDMR

5.72

-5.14

0.58
16 DFsyDMR

4.49

-3.87

0.62
17 sEsyDMR

6.41

-5.62

0.79
18 sEsyDSF

8.72

-7.75

0.97
19 EEsyDMR

9.31

-8.05

1.26
20 EDsyDSR

7.64

-5.68

1.96
21 DEsyDMR

6.86

-4.8

2.06
22 EEsyDSR

7.6

-5.41

2.19
23 DEsyDMN

8.2

-5.68

2.52
24 sFsyDSR

7.68

-4.06

3.62
25 DEsyDMF

9.14

-5.06

4.08
26 DDsyDMR

8.12

-3.97

4.15
27 sFsyDMR

8.87

-4.49

4.38
28 sEsyDMF

9.74

-5.35

4.39
29 EDsyDMR

8.79

-4.32

4.47
30 sDsyDMR

8.17

-2.85

5.32

 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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