Predicted ligand sequences


ADAN-name: 2C0O2.PDB (view again the scoring matrix)

PDB name: [2C0O.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T A T E S Q y E E I P
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
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 3.902 ΔGbinding -12.810
TOTAL
 -8.908
Backbone Hb -2.620 Cis_bond 0.000
Sidechain Hb -9.210 Torsional clash 0.170
Van der Waals -8.820 Backbone clash 0.900
Electrostatics -5.540 Helix dipole -0.190
Solvation Polar 16.260 Water bridges -1.790
Solvation Hyd -9.350 Disulfide 0.000
VdW clashes 1.150 Electrost. Kon -2.530
Entropy sc 6.310 Part.cov.bonds 0.000
Entropy mc

3.340

 ΔGstability

24.320
       

Predicted ligand sequences for template [2C0O2.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).
 
  2C0O2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDyppDyMyMG 0.0
2 EpyppDyMyMG 0.01
3 EsyppDyMyMG 0.02
4 EDyEpDyMyMG 0.03
5 EDyDpDyMyMG 0.03
6 EpyEpDyMyMG 0.04
7 EpyDpDyMyMG 0.04
8 EsyDpDyMyMG 0.05
9 EDypDDyMyMG 0.05
10 EsyEpDyMyMG 0.05
11 EpypDDyMyMG 0.06
12 EsypDDyMyMG 0.07
13 EDyEDDyMyMG 0.08
14 EDyDDDyMyMG 0.08
15 EpyEDDyMyMG 0.09
16 EDypsDyMyMG 0.09
17 EpyDDDyMyMG 0.09
18 EpypsDyMyMG 0.1
19 EsyEDDyMyMG 0.1
20 EsyDDDyMyMG 0.1
21 EsypsDyMyMG 0.11
22 EDyDsDyMyMG 0.12
23 EDyEsDyMyMG 0.12
24 EpyDsDyMyMG 0.13
25 EpyEsDyMyMG 0.13
26 EsyDsDyMyMG 0.14
27 EsyEsDyMyMG 0.14
28 MDyppDyMyMG 0.16
29 MpyppDyMyMG 0.17
30 sDyppDyMyMG 0.17
31 spyppDyMyMG 0.18
32 EDyppDyMEMG 0.18
33 MsyppDyMyMG 0.18
34 MDyDpDyMyMG 0.19
35 MDyEpDyMyMG 0.19
36 EpyppDyMEMG 0.19
37 ssyppDyMyMG 0.19
38 EsyppDyMEMG 0.2
39 sDyDpDyMyMG 0.2
40 sDyEpDyMyMG 0.2
41 MpyDpDyMyMG 0.2
42 MpyEpDyMyMG 0.2
43 EDyppsyMyMG 0.21
44 MsyDpDyMyMG 0.21
45 spyDpDyMyMG 0.21
46 spyEpDyMyMG 0.21
47 EDyDpDyMEMG 0.21
48 EDyEpDyMEMG 0.21
49 MsyEpDyMyMG 0.21
50 MDypDDyMyMG 0.21
51 EpyDpDyMEMG 0.22
52 EpyppsyMyMG 0.22
53 ssyDpDyMyMG 0.22
54 EpyEpDyMEMG 0.22
55 sDypDDyMyMG 0.22
56 ssyEpDyMyMG 0.22
57 MpypDDyMyMG 0.22
58 EDypDDyMEMG 0.23
59 EsyDpDyMEMG 0.23
60 EsyppsyMyMG 0.23
61 MsypDDyMyMG 0.23
62 EsyEpDyMEMG 0.23
63 spypDDyMyMG 0.23
64 MDyDDDyMyMG 0.24
65 EpypDDyMEMG 0.24
66 EDyDpsyMyMG 0.24
67 ssypDDyMyMG 0.24
68 MDyEDDyMyMG 0.24
69 EDyEpsyMyMG 0.24
70 sDyDDDyMyMG 0.25
71 MpyDDDyMyMG 0.25
72 EpyEpsyMyMG 0.25
73 sDyEDDyMyMG 0.25
74 EsypDDyMEMG 0.25
75 EpyDpsyMyMG 0.25
76 MDypsDyMyMG 0.25
77 MpyEDDyMyMG 0.25
78 MpypsDyMyMG 0.26
79 MsyDDDyMyMG 0.26
80 EsyEpsyMyMG 0.26
81 EDyEDDyMEMG 0.26
82 EDyDDDyMEMG 0.26
83 spyDDDyMyMG 0.26
84 EsyDpsyMyMG 0.26
85 MsyEDDyMyMG 0.26
86 EDypDsyMyMG 0.26
87 spyEDDyMyMG 0.26
88 sDypsDyMyMG 0.26
89 ssyEDDyMyMG 0.27
90 EpypDsyMyMG 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EpyEsDyMyMG

4.27

-19.15

-14.88
2 MDyppDyMyMG

4.29

-19.08

-14.79
3 EDyEsDyMyMG

4.81

-19.43

-14.62
4 EpyEDDyMyMG

4.37

-18.87

-14.5
5 EsyEsDyMyMG

4.93

-18.95

-14.02
6 EpyDsDyMyMG

4.96

-18.9

-13.94
7 sDyppDyMyMG

5.5

-19.4

-13.9
8 EsyEDDyMyMG

4.86

-18.71

-13.85
9 EDyEpDyMyMG

5.98

-19.56

-13.58
10 EDyDDDyMyMG

4.85

-18.39

-13.54
11 EDyDpDyMyMG

5.23

-18.66

-13.43
12 EpyDDDyMyMG

4.92

-18.32

-13.4
13 EsyDDDyMyMG

5.07

-18.32

-13.25
14 EDyppDyMyMG

6.22

-19.12

-12.9
15 EpypsDyMyMG

5.1

-17.8

-12.7
16 EDypDDyMyMG

5.01

-17.68

-12.67
17 EDyDsDyMyMG

4.49

-17.1

-12.61
18 EpyDpDyMyMG

6.45

-18.86

-12.41
19 EDyEDDyMyMG

5.02

-17.34

-12.32
20 EsyDsDyMyMG

4.57

-16.79

-12.22
21 EsypsDyMyMG

5.68

-17.87

-12.19
22 EsyppDyMyMG

7.01

-19.0

-11.99
23 EpyEpDyMyMG

6.81

-18.68

-11.87
24 EsyDpDyMyMG

6.82

-18.44

-11.62
25 EDypsDyMyMG

5.5

-17.1

-11.6
26 EpyppDyMyMG

6.35

-17.66

-11.31
27 EsypDDyMyMG

5.66

-16.83

-11.17
28 EpypDDyMyMG

5.57

-16.48

-10.91
29 EsyEpDyMyMG

6.67

-17.47

-10.8
30 MpyppDyMyMG

7.81

-16.34

-8.53

 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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