Predicted ligand sequences


ADAN-name: 1OO42.PDB (view again the scoring matrix)

PDB name: [1OO4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S V D y V P M L
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 4.769 ΔGbinding -8.080
TOTAL
 -3.311
Backbone Hb -1.850 Cis_bond 0.000
Sidechain Hb -7.940 Torsional clash 0.010
Van der Waals -13.360 Backbone clash 1.760
Electrostatics -2.850 Helix dipole -0.360
Solvation Polar 20.770 Water bridges -0.840
Solvation Hyd -15.390 Disulfide 0.000
VdW clashes 1.030 Electrost. Kon -2.000
Entropy sc 7.740 Part.cov.bonds 0.000
Entropy mc

6.960

 ΔGstability

101.280
       

Predicted ligand sequences for template [1OO42.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).
 
  1OO42.PDB  

(data)
# Predicted Sequences Value Calculate
1 PDDyEMMA 0.0
2 PDDyEMMS 0.01
3 PDDyEFMA 0.12
4 PDDyEFMS 0.13
5 PDDyEMMG 0.14
6 sDDyEMMA 0.16
7 PDDyDMMA 0.17
8 sDDyEMMS 0.17
9 PDDyDMMS 0.18
10 PDDyEFMG 0.26
11 sDDyEFMA 0.28
12 PDDyEMMC 0.28
13 PDDyDFMA 0.29
14 sDDyEFMS 0.29
15 sDDyEMMG 0.3
16 PDDyDFMS 0.3
17 PDDyDMMG 0.31
18 sDDyDMMA 0.33
19 sDDyDMMS 0.34
20 PDDyEWMA 0.4
21 PDDyEFMC 0.4
22 PDDyEWMS 0.41
23 sDDyEFMG 0.42
24 DDDyEMMA 0.43
25 PDDyDFMG 0.43
26 DDDyEMMS 0.44
27 sDDyEMMC 0.44
28 sDDyDFMA 0.45
29 PDDyDMMC 0.45
30 sDDyDFMS 0.46
31 sDDyDMMG 0.47
32 yDDyEMMA 0.47
33 yDDyEMMS 0.49
34 PDDyEWMG 0.54
35 DDDyEFMA 0.55
36 DDDyEFMS 0.56
37 sDDyEWMA 0.56
38 sDDyEFMC 0.56
39 PDDyDWMA 0.57
40 DDDyEMMG 0.57
41 sDDyEWMS 0.57
42 PDDyDFMC 0.57
43 PDDyDWMS 0.58
44 yDDyEFMA 0.59
45 sDDyDFMG 0.59
46 yDDyEFMS 0.6
47 DDDyDMMA 0.6
48 DDDyDMMS 0.61
49 sDDyDMMC 0.61
50 yDDyEMMG 0.61
51 yDDyDMMA 0.64
52 yDDyDMMS 0.66
53 PDDyEWMC 0.68
54 DDDyEFMG 0.69
55 sDDyEWMG 0.7
56 PDDyDWMG 0.71
57 DDDyEMMC 0.71
58 DDDyDFMA 0.72
59 yDDyEFMG 0.73
60 sDDyDWMA 0.73
61 sDDyDFMC 0.73
62 DDDyDFMS 0.73
63 sDDyDWMS 0.74
64 DDDyDMMG 0.74
65 yDDyEMMC 0.75
66 yDDyDFMA 0.76
67 yDDyDMMG 0.78
68 yDDyDFMS 0.78
69 DDDyEFMC 0.83
70 DDDyEWMA 0.83
71 DDDyEWMS 0.84
72 sDDyEWMC 0.84
73 PDDyDWMC 0.85
74 DDDyDFMG 0.86
75 yDDyEFMC 0.87
76 sDDyDWMG 0.87
77 yDDyEWMA 0.87
78 DDDyDMMC 0.88
79 yDDyEWMS 0.89
80 yDDyDFMG 0.9
81 yDDyDMMC 0.92
82 DDDyEWMG 0.97
83 DDDyDWMA 1.0
84 DDDyDFMC 1.0
85 DDDyDWMS 1.01
86 sDDyDWMC 1.01
87 yDDyEWMG 1.01
88 yDDyDWMA 1.04
89 yDDyDFMC 1.04
90 yDDyDWMS 1.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PDDyDMMA

4.36

-17.51

-13.15
2 PDDyEMMG

4.4

-16.46

-12.06
3 PDDyDMMC

4.41

-15.08

-10.67
4 PDDyEMMA

4.89

-15.53

-10.64
5 PDDyEWMS

4.14

-14.76

-10.62
6 PDDyDMMS

4.5

-14.95

-10.45
7 sDDyEMMC

4.25

-14.5

-10.25
8 PDDyEMMC

4.36

-14.6

-10.24
9 PDDyEFMC

4.35

-14.58

-10.23
10 PDDyEFMA

4.56

-14.61

-10.05
11 DDDyEMMA

5.1

-15.01

-9.91
12 PDDyEFMG

4.61

-14.34

-9.73
13 sDDyDFMS

4.06

-13.79

-9.73
14 PDDyDFMS

4.05

-13.73

-9.68
15 PDDyDFMA

4.77

-14.45

-9.68
16 sDDyEMMA

4.51

-13.91

-9.4
17 PDDyDMMG

5.76

-15.04

-9.28
18 PDDyEFMS

4.22

-13.37

-9.15
19 sDDyEMMG

6.35

-15.28

-8.93
20 PDDyEWMA

4.29

-13.13

-8.84
21 sDDyEMMS

4.27

-13.06

-8.79
22 DDDyEMMS

4.55

-12.93

-8.38
23 PDDyEMMS

5.1

-13.29

-8.19
24 sDDyDFMA

4.64

-12.76

-8.12
25 sDDyDMMA

6.44

-14.11

-7.67
26 PDDyDFMG

5.98

-13.61

-7.63
27 sDDyEFMA

5.64

-12.63

-6.99
28 sDDyEFMG

4.31

-11.25

-6.94
29 sDDyEFMS

4.89

-11.77

-6.88
30 sDDyDMMS

5.52

-12.17

-6.65

 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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