Predicted ligand sequences


ADAN-name: 1D5G2.PDB (view again the scoring matrix)

PDB name: [1D5G.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N E Q V S A V
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 7.305 ΔGbinding 3.380
TOTAL
 10.685
Backbone Hb -4.180 Cis_bond 0.000
Sidechain Hb -1.360 Torsional clash 0.260
Van der Waals -5.710 Backbone clash 0.600
Electrostatics -0.290 Helix dipole -0.170
Solvation Polar 12.190 Water bridges -1.000
Solvation Hyd -6.360 Disulfide 0.000
VdW clashes 1.520 Electrost. Kon -0.290
Entropy sc 3.650 Part.cov.bonds 0.000
Entropy mc

5.130

 ΔGstability

111.520
       

Predicted ligand sequences for template [1D5G2.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).
 
  1D5G2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMDDEML 0.0
2 DMDDEML 0.06
3 EMGDEML 0.07
4 EMDDEDL 0.07
5 EMDDEMM 0.07
6 WMDDEML 0.07
7 DMGDEML 0.13
8 DMDDEMM 0.13
9 EMDDEKL 0.13
10 DMDDEDL 0.13
11 WMGDEML 0.14
12 EMGDEMM 0.14
13 WMDDEMM 0.14
14 EMGDEDL 0.15
15 WMDDEDL 0.15
16 EMDDEDM 0.15
17 EMDEEML 0.18
18 DMDDEKL 0.18
19 EMEDEML 0.19
20 DMGDEMM 0.2
21 DMGDEDL 0.2
22 WMDDEKL 0.2
23 EMGDEKL 0.2
24 EMDDEKM 0.2
25 EMDDEMW 0.2
26 DMDDEDM 0.2
27 WMGDEMM 0.21
28 EMGDEDM 0.22
29 WMDDEDM 0.22
30 WMGDEDL 0.22
31 DMDEEML 0.24
32 EMDGEML 0.25
33 DMDDEKM 0.25
34 DMEDEML 0.25
35 WMDEEML 0.25
36 DMGDEKL 0.25
37 EMDEEMM 0.25
38 EMGEEML 0.25
39 EMDEEDL 0.26
40 DMDDEMW 0.26
41 WMEDEML 0.26
42 DMGDEDM 0.27
43 WMDDEKM 0.27
44 EMGDEKM 0.27
45 EMGDEMW 0.27
46 WMGDEKL 0.27
47 EMEDEDL 0.27
48 EMEDEMM 0.27
49 WMDDEMW 0.27
50 EMDDEDW 0.28
51 WMGDEDM 0.29
52 EMDEEKL 0.31
53 DMDEEDL 0.31
54 DMGEEML 0.31
55 DMDGEML 0.31
56 DMDEEMM 0.31
57 WMDGEML 0.32
58 DMEDEMM 0.32
59 EMEDEKL 0.32
60 WMDEEMM 0.32
61 DMGDEKM 0.32
62 WMGEEML 0.32
63 EMGGEML 0.32
64 EMDGEMM 0.32
65 EMGEEMM 0.32
66 EMDEEDM 0.33
67 WMDEEDL 0.33
68 DMGDEMW 0.33
69 DMEDEDL 0.33
70 EMDGEDL 0.33
71 EMDDEKW 0.33
72 EMGEEDL 0.33
73 WMGDEMW 0.34
74 WMEDEDL 0.34
75 WMGDEKM 0.34
76 EMEDEDM 0.34
77 WMEDEMM 0.34
78 DMDDEDW 0.34
79 EMGDEDW 0.35
80 WMDDEDW 0.35
81 DMDEEKL 0.36
82 EMDEEKM 0.38
83 DMDEEDM 0.38
84 EMEEEML 0.38
85 DMGEEMM 0.38
86 DMGEEDL 0.38
87 DMDGEMM 0.38
88 EMGEEKL 0.38
89 DMGGEML 0.38
90 WMDEEKL 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EMDEEML

5.0

-7.77

-2.77
2 WMGDEMM

4.6

-7.13

-2.53
3 EMDDEMM

5.08

-7.43

-2.35
4 DMDDEKL

4.43

-6.6

-2.17
5 EMGDEML

4.8

-6.93

-2.13
6 WMDDEML

4.79

-6.84

-2.05
7 DMGDEML

4.71

-6.75

-2.04
8 DMDDEML

5.33

-7.36

-2.03
9 EMEDEML

4.74

-6.74

-2.0
10 WMGDEML

4.13

-6.13

-2.0
11 EMGDEMM

4.46

-6.37

-1.91
12 DMGDEMM

4.74

-6.52

-1.78
13 EMDDEMW

5.55

-7.29

-1.74
14 WMDDEMM

4.62

-6.33

-1.71
15 EMDDEML

5.64

-7.32

-1.68
16 EMGDEDL

4.96

-6.41

-1.45
17 EMGDEKL

5.16

-6.56

-1.4
18 EMDDEKM

6.02

-7.34

-1.32
19 DMDDEMM

6.01

-7.17

-1.16
20 EMGDEDM

5.29

-6.34

-1.05
21 DMDDEDL

5.69

-6.73

-1.04
22 DMDDEDM

5.96

-6.9

-0.94
23 WMGDEDL

5.08

-5.89

-0.81
24 EMDDEDL

6.32

-6.73

-0.41
25 WMDDEDL

6.04

-6.3

-0.26
26 EMDDEDM

6.55

-6.75

-0.2
27 EMDDEKL

5.88

-6.07

-0.19
28 DMGDEDL

5.51

-5.55

-0.04
29 WMDDEKL

6.3

-5.98

0.32
30 WMDDEDM

7.09

-6.17

0.92

 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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