Predicted ligand sequences


ADAN-name: 2I0I2.PDB (view again the scoring matrix)

PDB name: [2I0I.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R R E T Q V
position 1 2 3 4 5 6
poly-Ala
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 5.554 ΔGbinding -8.310
TOTAL
 -2.756
Backbone Hb -7.210 Cis_bond 0.000
Sidechain Hb -4.090 Torsional clash 0.080
Van der Waals -8.810 Backbone clash 3.060
Electrostatics -1.740 Helix dipole 0.000
Solvation Polar 15.250 Water bridges -0.960
Solvation Hyd -10.910 Disulfide 0.000
VdW clashes 2.980 Electrost. Kon -1.520
Entropy sc 5.800 Part.cov.bonds 0.000
Entropy mc

2.830

 ΔGstability

36.480
       

Predicted ligand sequences for template [2I0I2.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).
 
  2I0I2.PDB  

(data)
# Predicted Sequences Value Calculate
1 AKIEHV 0.0
2 GKIEHV 0.05
3 CKIEHV 0.07
4 SKIEHV 0.07
5 AKIEHM 0.12
6 GKIEHM 0.17
7 AKIDHV 0.18
8 CKIEHM 0.19
9 SKIEHM 0.19
10 GKIDHV 0.23
11 SKIDHV 0.25
12 AKIWHV 0.25
13 CKIDHV 0.25
14 AKIEMV 0.26
15 AKILHV 0.26
16 AKIDHM 0.3
17 GKILHV 0.3
18 GKIWHV 0.3
19 GKIEMV 0.31
20 SKIWHV 0.32
21 CKIWHV 0.32
22 SKIEMV 0.33
23 CKIEMV 0.33
24 SKILHV 0.33
25 CKILHV 0.33
26 GKIDHM 0.35
27 AKIEMM 0.37
28 AKILHM 0.37
29 SKIDHM 0.37
30 AKIWHM 0.37
31 CKIDHM 0.37
32 ALIEHV 0.41
33 GKILHM 0.42
34 GKIWHM 0.42
35 GKIEMM 0.42
36 SKIWHM 0.44
37 SKIEMM 0.44
38 CKIEMM 0.44
39 AKIDMV 0.44
40 CKILHM 0.44
41 CKIWHM 0.44
42 SKILHM 0.44
43 GLIEHV 0.46
44 SLIEHV 0.48
45 CLIEHV 0.48
46 GKIDMV 0.49
47 SKIDMV 0.51
48 AKIWMV 0.51
49 CKIDMV 0.51
50 AKILMV 0.51
51 ALIEHM 0.53
52 GKIWMV 0.56
53 AKIDMM 0.56
54 GKILMV 0.56
55 GLIEHM 0.57
56 SKILMV 0.58
57 CKIWMV 0.58
58 SKIWMV 0.58
59 CKILMV 0.58
60 SLIEHM 0.59
61 ALIDHV 0.59
62 CLIEHM 0.59
63 GKIDMM 0.61
64 SKIDMM 0.63
65 AKIWMM 0.63
66 CKIDMM 0.63
67 AKILMM 0.63
68 GLIDHV 0.64
69 CLIDHV 0.66
70 ALIEMV 0.66
71 ALIWHV 0.66
72 ALILHV 0.66
73 SLIDHV 0.66
74 GKIWMM 0.68
75 GKILMM 0.68
76 CKIWMM 0.7
77 SKIWMM 0.7
78 CKILMM 0.7
79 SKILMM 0.7
80 GLILHV 0.71
81 GLIWHV 0.71
82 ALIDHM 0.71
83 GLIEMV 0.71
84 CLILHV 0.73
85 SLIWHV 0.73
86 CLIWHV 0.73
87 CLIEMV 0.73
88 SLILHV 0.73
89 SLIEMV 0.73
90 GLIDHM 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 CKIEMV

4.41

-11.88

-7.47
2 SKIEMV

4.36

-11.75

-7.39
3 CKIEHV

4.28

-11.6

-7.32
4 SKIEHV

4.38

-11.53

-7.15
5 GKIEMV

4.94

-12.01

-7.07
6 AKIDHV

4.48

-11.52

-7.04
7 AKIEHV

4.55

-11.55

-7.0
8 AKIEMV

4.47

-11.44

-6.97
9 AKIWHV

4.5

-11.19

-6.69
10 SKIWHV

4.34

-10.85

-6.51
11 GKIEHV

4.87

-11.32

-6.45
12 SKIDHV

4.73

-10.93

-6.2
13 CKIDHV

4.39

-10.55

-6.16
14 GKIWHV

4.4

-10.41

-6.01
15 AKILHV

4.51

-10.5

-5.99
16 SKIEHM

5.09

-11.0

-5.91
17 GKIDHM

4.36

-10.25

-5.89
18 CKILHV

4.02

-9.87

-5.85
19 SKILHV

4.62

-10.28

-5.66
20 GKIDHV

4.78

-10.38

-5.6
21 GKIEHM

4.76

-10.13

-5.37
22 AKIWHM

4.24

-9.05

-4.81
23 SKIDHM

4.68

-9.42

-4.74
24 CKIWHV

5.35

-9.96

-4.61
25 AKIDHM

4.54

-9.11

-4.57
26 AKIEHM

4.86

-9.28

-4.42
27 AKIEMM

5.22

-9.45

-4.23
28 AKILHM

6.07

-9.83

-3.76
29 GKILHV

4.54

-7.9

-3.36
30 CKIEHM

5.38

-7.1

-1.72

 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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