Predicted ligand sequences


ADAN-name: 1SHB2.PDB (view again the scoring matrix)

PDB name: [1SHB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y L R V A
position 1 2 3 4 5
poly-Ala
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 4.244 ΔGbinding -9.410
TOTAL
 -5.166
Backbone Hb -2.170 Cis_bond 0.000
Sidechain Hb -5.010 Torsional clash 0.260
Van der Waals -7.840 Backbone clash 0.450
Electrostatics -4.310 Helix dipole -0.220
Solvation Polar 13.270 Water bridges -0.110
Solvation Hyd -9.070 Disulfide 0.000
VdW clashes 0.290 Electrost. Kon -1.590
Entropy sc 4.440 Part.cov.bonds 0.000
Entropy mc

2.670

 ΔGstability

36.170
       

Predicted ligand sequences for template [1SHB2.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).
 
  1SHB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEEMG 0.0
2 yEyMG 0.01
3 yEsMG 0.11
4 yEDMG 0.21
5 yEpMG 0.22
6 yWEMG 0.25
7 yWyMG 0.26
8 yWsMG 0.36
9 yMEMG 0.45
10 yMyMG 0.46
11 yWDMG 0.46
12 yWpMG 0.47
13 yEEIG 0.56
14 yMsMG 0.56
15 yEyIG 0.57
16 yEEMA 0.61
17 yEyMA 0.62
18 yMDMG 0.66
19 yMpMG 0.67
20 yEsIG 0.67
21 yEsMA 0.72
22 yEDIG 0.77
23 yEpIG 0.78
24 yDEMG 0.78
25 yDyMG 0.79
26 yEELG 0.79
27 yEyLG 0.8
28 yWEIG 0.82
29 yEDMA 0.82
30 yEpMA 0.83
31 yWyIG 0.83
32 yWEMA 0.86
33 yWyMA 0.88
34 yDsMG 0.89
35 yEsLG 0.9
36 yWsIG 0.93
37 yWsMA 0.97
38 yDDMG 0.99
39 yDpMG 1.0
40 yEDLG 1.0
41 yEpLG 1.01
42 yMEIG 1.01
43 yMyIG 1.02
44 yWDIG 1.02
45 yWpIG 1.04
46 yWELG 1.05
47 yWyLG 1.06
48 yMEMA 1.06
49 yMyMA 1.07
50 yWDMA 1.08
51 yWpMA 1.09
52 yMsIG 1.12
53 yWsLG 1.16
54 yEEIA 1.17
55 yMsMA 1.17
56 yEyIA 1.18
57 yMDIG 1.22
58 yMpIG 1.23
59 yMELG 1.24
60 yMyLG 1.25
61 yWDLG 1.26
62 yMDMA 1.27
63 yWpLG 1.27
64 yMpMA 1.28
65 yEsIA 1.28
66 yDEIG 1.34
67 yDyIG 1.35
68 yMsLG 1.35
69 yEDIA 1.38
70 yEpIA 1.39
71 yDEMA 1.39
72 yDyMA 1.4
73 yEELA 1.4
74 yEyLA 1.41
75 yWEIA 1.43
76 yWyIA 1.44
77 yMDLG 1.45
78 yDsIG 1.45
79 yMpLG 1.46
80 yDsMA 1.5
81 yEsLA 1.51
82 yWsIA 1.54
83 yDDIG 1.55
84 yDpIG 1.56
85 yDELG 1.57
86 yDyLG 1.58
87 yDDMA 1.6
88 yDpMA 1.61
89 yEDLA 1.61
90 yEpLA 1.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yEsMG

2.17

-12.88

-10.71
2 yEyMG

2.17

-12.23

-10.06
3 yEEMG

3.11

-12.41

-9.3
4 yMEMG

2.63

-11.79

-9.16
5 yEsIG

2.24

-11.29

-9.05
6 yEyLG

2.9

-11.9

-9.0
7 yDyMG

2.12

-11.09

-8.97
8 yDEMG

2.2

-11.16

-8.96
9 yEyMA

3.2

-12.09

-8.89
10 yEpMG

2.26

-11.09

-8.83
11 yMpMG

2.58

-11.4

-8.82
12 yMsMG

2.56

-11.23

-8.67
13 yEEMA

3.49

-11.91

-8.42
14 yEELG

2.84

-11.22

-8.38
15 yEDMG

2.19

-10.51

-8.32
16 yEyIG

2.74

-10.97

-8.23
17 yMDMG

2.75

-10.95

-8.2
18 yEEIG

2.92

-11.05

-8.13
19 yWyMG

2.36

-10.44

-8.08
20 yWDMG

2.61

-10.5

-7.89
21 yEDMA

3.31

-11.19

-7.88
22 yWpMG

2.65

-10.38

-7.73
23 yEsMA

3.32

-10.78

-7.46
24 yEpMA

3.29

-10.63

-7.34
25 yWsMG

2.58

-9.32

-6.74
26 yEDIG

2.69

-9.23

-6.54
27 yMyMG

3.04

-9.56

-6.52
28 yEpIG

2.78

-9.27

-6.49
29 yWEIG

2.74

-8.79

-6.05
30 yWEMG

3.25

-8.62

-5.37

 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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