Predicted ligand sequences


ADAN-name: 1QCF2.PDB (view again the scoring matrix)

PDB name: [1QCF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E S Q y E E I P
position 1 2 3 4 5 6 7 8
poly-Ala A
A
A
y
 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 10.141 ΔGbinding -12.620
TOTAL
 -2.479
Backbone Hb -2.190 Cis_bond 0.000
Sidechain Hb -8.190 Torsional clash 0.490
Van der Waals -10.090 Backbone clash 1.230
Electrostatics -5.740 Helix dipole -0.250
Solvation Polar 16.250 Water bridges -0.940
Solvation Hyd -11.200 Disulfide 0.000
VdW clashes 2.940 Electrost. Kon -2.580
Entropy sc 5.740 Part.cov.bonds 0.000
Entropy mc

3.140

 ΔGstability

40.220
       

Predicted ligand sequences for template [1QCF2.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).
 
  1QCF2.PDB  

(data)
# Predicted Sequences Value Calculate
1 pssyEsMG 0.0
2 pssyDsMG 0.03
3 pssyEyMG 0.04
4 sssyEsMG 0.06
5 pssyDyMG 0.07
6 sssyDsMG 0.09
7 sssyEyMG 0.1
8 pDsyEsMG 0.12
9 sssyDyMG 0.13
10 pDsyDsMG 0.15
11 pDsyEyMG 0.16
12 pssyEDMG 0.17
13 sDsyEsMG 0.18
14 pssyMsMG 0.19
15 pDsyDyMG 0.19
16 pssyDDMG 0.2
17 sDsyDsMG 0.21
18 sDsyEyMG 0.22
19 ppsyEsMG 0.23
20 pssyMyMG 0.23
21 sssyEDMG 0.23
22 EssyEsMG 0.25
23 sDsyDyMG 0.25
24 sssyMsMG 0.25
25 sssyDDMG 0.26
26 ppsyDsMG 0.26
27 ppsyEyMG 0.27
28 EssyDsMG 0.28
29 psEyEsMG 0.29
30 sssyMyMG 0.29
31 spsyEsMG 0.29
32 EssyEyMG 0.29
33 pDsyEDMG 0.29
34 ppsyDyMG 0.3
35 pDsyMsMG 0.31
36 EssyDyMG 0.32
37 psEyDsMG 0.32
38 psEyEyMG 0.32
39 pDsyDDMG 0.32
40 spsyDsMG 0.32
41 spsyEyMG 0.33
42 pDsyMyMG 0.35
43 ssEyEsMG 0.35
44 psEyDyMG 0.35
45 sDsyEDMG 0.35
46 pssyMDMG 0.36
47 spsyDyMG 0.36
48 EDsyEsMG 0.37
49 sDsyMsMG 0.37
50 ssEyEyMG 0.38
51 sDsyDDMG 0.38
52 ssEyDsMG 0.38
53 ppsyEDMG 0.4
54 EDsyDsMG 0.4
55 sDsyMyMG 0.41
56 EDsyEyMG 0.41
57 ssEyDyMG 0.41
58 pDEyEsMG 0.41
59 EssyEDMG 0.42
60 ppsyMsMG 0.42
61 sssyMDMG 0.42
62 ppsyDDMG 0.43
63 EDsyDyMG 0.44
64 pDEyEyMG 0.44
65 pDEyDsMG 0.44
66 EssyMsMG 0.44
67 EssyDDMG 0.45
68 spsyEDMG 0.46
69 ppsyMyMG 0.46
70 psEyEDMG 0.46
71 pDEyDyMG 0.47
72 sDEyEsMG 0.47
73 psEyMsMG 0.48
74 pDsyMDMG 0.48
75 EssyMyMG 0.48
76 spsyMsMG 0.48
77 EpsyEsMG 0.48
78 psEyDDMG 0.49
79 pssyEsLG 0.49
80 spsyDDMG 0.49
81 sDEyDsMG 0.5
82 EpsyDsMG 0.51
83 sDEyEyMG 0.51
84 spsyMyMG 0.52
85 EpsyEyMG 0.52
86 psEyMyMG 0.52
87 ppEyEsMG 0.52
88 ssEyEDMG 0.52
89 pssyDsLG 0.52
90 pssyEyLG 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sssyMsMG

5.57

-18.52

-12.95
2 EssyEsMG

5.38

-17.76

-12.38
3 pssyEyMG

5.71

-17.75

-12.04
4 pssyMsMG

5.44

-17.28

-11.84
5 sDsyDyMG

5.33

-16.71

-11.38
6 sssyEsMG

5.52

-16.8

-11.28
7 pssyMyMG

5.55

-16.81

-11.26
8 pDsyDyMG

5.22

-16.45

-11.23
9 ppsyEsMG

5.24

-16.43

-11.19
10 sDsyDsMG

5.91

-17.09

-11.18
11 sssyEyMG

5.23

-16.26

-11.03
12 sDsyEsMG

5.56

-16.43

-10.87
13 pDsyEsMG

5.89

-16.65

-10.76
14 sssyEDMG

5.55

-16.29

-10.74
15 sDsyEyMG

6.33

-16.99

-10.66
16 pDsyEyMG

5.56

-16.2

-10.64
17 ppsyDsMG

5.56

-16.17

-10.61
18 sssyMyMG

5.36

-15.96

-10.6
19 pssyEsMG

5.96

-16.46

-10.5
20 ppsyEyMG

5.15

-15.59

-10.44
21 pssyEDMG

6.01

-16.39

-10.38
22 EssyDsMG

5.84

-16.22

-10.38
23 psEyEsMG

5.68

-15.66

-9.98
24 sssyDDMG

6.8

-16.54

-9.74
25 pssyDsMG

5.62

-14.99

-9.37
26 pssyDyMG

6.61

-15.55

-8.94
27 sssyDsMG

6.18

-15.09

-8.91
28 pDsyDsMG

7.12

-16.01

-8.89
29 pssyDDMG

6.42

-14.45

-8.03
30 sssyDyMG

6.2

-14.19

-7.99

 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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