Predicted ligand sequences


ADAN-name: 1KSW2.PDB (view again the scoring matrix)

PDB name: [1KSW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E P Q y Q P G E N L
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A A
y
 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    

(Help)

Intraclash 6.991 ΔGbinding -9.480
TOTAL
 -2.489
Backbone Hb -6.080 Cis_bond 0.000
Sidechain Hb -8.540 Torsional clash 0.450
Van der Waals -9.950 Backbone clash 0.990
Electrostatics -4.690 Helix dipole -0.840
Solvation Polar 20.890 Water bridges -2.250
Solvation Hyd -9.410 Disulfide 0.000
VdW clashes 0.350 Electrost. Kon -2.150
Entropy sc 7.850 Part.cov.bonds 0.000
Entropy mc

4.900

 ΔGstability

52.810
       

Predicted ligand sequences for template [1KSW2.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).
 
  1KSW2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEsyLDGNMs 0.0
2 EEsyLDGNFs 0.02
3 EEsyLDGNMR 0.03
4 EEsyLDGNMS 0.03
5 EEsyMDGNMs 0.04
6 EEsyLpGNMs 0.05
7 EEsyLDGNFS 0.06
8 EEsyLDGNFR 0.06
9 EEsyLpGNFs 0.07
10 EEsyMDGNMS 0.07
11 EEsyMDGNFs 0.07
12 EEsyLpGNMR 0.08
13 EEsyLpGNMS 0.08
14 EEsyMDGNMR 0.08
15 EEsyMpGNMs 0.09
16 EEGyLDGNMs 0.09
17 EEsyMDGNFR 0.1
18 EEsyMDGNFS 0.1
19 EEsyLyGNMs 0.11
20 EDsyLDGNMs 0.11
21 EEsyLpGNFS 0.11
22 EEsyLpGNFR 0.11
23 EEsyMpGNFs 0.11
24 EEGyLDGNFs 0.12
25 EEsyDDGNMs 0.12
26 EEsyMpGNMS 0.12
27 EEGyMDGNMs 0.13
28 EEsyLyGNFs 0.13
29 EEsyMpGNMR 0.13
30 EEsyLDGNEs 0.13
31 EEGyLDGNMR 0.13
32 EEGyLDGNMS 0.13
33 EDsyLDGNFs 0.13
34 EEGyLpGNMs 0.14
35 EEEyLDGNMs 0.14
36 EDsyLDGNMS 0.14
37 EDsyLDGNMR 0.14
38 EEsyLyGNMS 0.14
39 EEsyLyGNMR 0.14
40 EEsyDDGNFs 0.14
41 EEGyLDGNFS 0.15
42 EEGyLDGNFR 0.15
43 EEsyDDGNMR 0.15
44 EEsyDDGNMS 0.15
45 EDsyMDGNMs 0.15
46 EEsyMyGNMs 0.15
47 EEsyMpGNFR 0.15
48 EEsyMpGNFS 0.15
49 EEsyLyGNFS 0.16
50 EEGyMDGNFs 0.16
51 EEsyLDGNES 0.16
52 EDsyLpGNMs 0.16
53 EDsyLDGNFR 0.16
54 EDsyLDGNFS 0.16
55 EEsyMDGNEs 0.17
56 EEGyLpGNFs 0.17
57 EEGyMDGNMR 0.17
58 EEEyLDGNFs 0.17
59 EEsyLyGNFR 0.17
60 EEsyMyGNFs 0.17
61 EDsyMDGNFs 0.17
62 EEEyLDGNMS 0.17
63 EEGyMDGNMS 0.17
64 EEsyLDGNER 0.17
65 EEsyDpGNMs 0.17
66 EEsyDDGNFS 0.17
67 EEsyDDGNFR 0.17
68 EEGyLpGNMR 0.18
69 EEGyMpGNMs 0.18
70 EEEyLDGNMR 0.18
71 EEEyMDGNMs 0.18
72 EDsyLpGNFs 0.18
73 EEsyLpGNEs 0.18
74 EEGyLpGNMS 0.18
75 EDsyMDGNMR 0.18
76 EDsyMDGNMS 0.18
77 EEsyMyGNMR 0.18
78 EEsyMyGNMS 0.18
79 EGsyLDGNMs 0.18
80 EEsyDpGNFs 0.19
81 EEGyMDGNFR 0.19
82 EEGyMDGNFS 0.19
83 EEEyLpGNMs 0.19
84 EDsyLpGNMS 0.19
85 EDsyLpGNMR 0.19
86 EEGyLpGNFS 0.2
87 EEGyLpGNFR 0.2
88 EEsyMDGNES 0.2
89 EEEyLDGNFS 0.2
90 EEEyLDGNFR 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EEsyLDGNMs

6.56

-12.82

-6.26
2 EDsyLDGNMs

5.72

-10.83

-5.11
3 EEsyLyGNFs

7.07

-11.41

-4.34
4 EEsyLDGNEs

6.36

-10.62

-4.26
5 EEsyLpGNMR

6.85

-11.06

-4.21
6 EEsyLDGNFs

6.46

-10.64

-4.18
7 EEsyMpGNFs

6.73

-10.88

-4.15
8 EEsyMDGNMR

6.65

-10.78

-4.13
9 EEsyLDGNMR

5.97

-10.02

-4.05
10 EEsyLDGNMS

6.52

-10.5

-3.98
11 EEsyMpGNMR

6.81

-10.77

-3.96
12 EEsyLDGNFR

6.56

-10.4

-3.84
13 EEsyLDGNFS

6.27

-10.1

-3.83
14 EEsyLpGNFs

6.58

-10.34

-3.76
15 EEsyMDGNMs

6.77

-10.46

-3.69
16 EEsyDDGNMs

6.66

-10.31

-3.65
17 EEsyMDGNFR

6.71

-10.18

-3.47
18 EEsyMDGNMS

6.76

-9.98

-3.22
19 EEsyLyGNMs

6.65

-9.71

-3.06
20 EEsyLpGNMs

7.1

-10.03

-2.93
21 EEsyLpGNFR

7.33

-10.24

-2.91
22 EEGyLDGNFs

5.34

-8.22

-2.88
23 EEsyMpGNMs

6.69

-9.29

-2.6
24 EEsyMpGNMS

6.59

-9.17

-2.58
25 EEsyMDGNFs

6.63

-9.09

-2.46
26 EEsyLpGNFS

6.87

-8.86

-1.99
27 EEsyMDGNFS

7.92

-9.53

-1.61
28 EEsyLpGNMS

7.3

-8.64

-1.34
29 EEGyMDGNMs

4.42

-4.62

-0.2
30 EEGyLDGNMs

4.95

-3.26

1.69

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER