Predicted ligand sequences


ADAN-name: 2IUI2.PDB (view again the scoring matrix)

PDB name: [2IUI.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S I D y V P M L D M K
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
 A
y
A
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 4.813 ΔGbinding -18.700
TOTAL
 -13.887
Backbone Hb -6.350 Cis_bond 0.000
Sidechain Hb -7.410 Torsional clash 0.180
Van der Waals -14.310 Backbone clash 1.280
Electrostatics -4.280 Helix dipole -0.140
Solvation Polar 19.520 Water bridges -0.670
Solvation Hyd -18.030 Disulfide 0.000
VdW clashes 1.610 Electrost. Kon -2.270
Entropy sc 8.260 Part.cov.bonds 0.000
Entropy mc

5.170

 ΔGstability

8.470
       

Predicted ligand sequences for template [2IUI2.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).
 
  2IUI2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DyGyMWMMRLM 0.0
2 DyEyMWMMRLM 0.04
3 DyGyMWMMRMM 0.07
4 DyGyMWMyRLM 0.07
5 DDGyMWMMRLM 0.09
6 DyEyMWMyRLM 0.11
7 DyEyMWMMRMM 0.11
8 DyGyMFMMRLM 0.12
9 DDEyMWMMRLM 0.13
10 DyGyMWMyRMM 0.14
11 DyGyMsMMRLM 0.15
12 DDGyMWMyRLM 0.16
13 DyEyMFMMRLM 0.16
14 DDGyMWMMRMM 0.16
15 DyGyMWMMRKM 0.17
16 DyGyMWMMRLI 0.18
17 DyEyMWMyRMM 0.18
18 DpGyMWMMRLM 0.19
19 DyGyMFMMRMM 0.19
20 AyGyMWMMRLM 0.19
21 DyEyMsMMRLM 0.19
22 DDEyMWMMRMM 0.2
23 DyGyMFMyRLM 0.2
24 DDEyMWMyRLM 0.2
25 DyEyMWMMRKM 0.21
26 DyGyMsMMRMM 0.21
27 DDGyMFMMRLM 0.21
28 DyEyMWMMRLI 0.22
29 DyGyMWMMKLM 0.22
30 DyGyMsMyRLM 0.22
31 DDGyMWMyRMM 0.23
32 DyEyMFMMRMM 0.23
33 DpEyMWMMRLM 0.23
34 DyEyMFMyRLM 0.24
35 DyGyMWMyRKM 0.24
36 DDGyMsMMRLM 0.24
37 AyEyMWMMRLM 0.24
38 DDEyMFMMRLM 0.25
39 DyGyMWMMRMI 0.25
40 DyGyMWMyRLI 0.25
41 DyGyMFMyRMM 0.26
42 DyEyMWMMKLM 0.26
43 DyEyMsMMRMM 0.26
44 DyDyMWMMRLM 0.26
45 DyEyMsMyRLM 0.26
46 DDGyMWMMRKM 0.26
47 DpGyMWMMRMM 0.26
48 DpGyMWMyRLM 0.26
49 AyGyMWMMRMM 0.26
50 DDGyMWMMRLI 0.27
51 DDEyMWMyRMM 0.27
52 DyGyMWFMRLM 0.27
53 AyGyMWMyRLM 0.27
54 DDGyMFMyRLM 0.28
55 DyGyMWMMKMM 0.28
56 CyGyMWMMRLM 0.28
57 DDEyMsMMRLM 0.28
58 ADGyMWMMRLM 0.28
59 DDGyMFMMRMM 0.28
60 DyEyMWMyRKM 0.28
61 DyGyMsMyRMM 0.29
62 DyEyMWMyRLI 0.29
63 DyGyMWMyKLM 0.29
64 DyEyMWMMRMI 0.29
65 DyGyMFMMRKM 0.29
66 DDEyMWMMRKM 0.3
67 DyGyMFMMRLI 0.3
68 DyEyMFMyRMM 0.3
69 DDGyMsMMRMM 0.3
70 AyEyMWMMRMM 0.3
71 DyGyMWMFRLM 0.3
72 DpEyMWMMRMM 0.3
73 DpEyMWMyRLM 0.3
74 DpGyMFMMRLM 0.31
75 DyEyMWFMRLM 0.31
76 DDEyMWMMRLI 0.31
77 DyGyLWMMRLM 0.31
78 AyEyMWMyRLM 0.31
79 DDGyMsMyRLM 0.31
80 DDGyMWMMKLM 0.31
81 AyGyMFMMRLM 0.32
82 DyDyMWMMRMM 0.32
83 DDEyMFMMRMM 0.32
84 CyEyMWMMRLM 0.32
85 DyEyMWMMKMM 0.32
86 DyGyMsMMRKM 0.32
87 DyGyMWMMMLM 0.32
88 DyGyMWMyRMI 0.32
89 DDEyMFMyRLM 0.33
90 AyGyMWMyRMM 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DyGyMsMMRMM

3.76

-24.04

-20.28
2 DyGyMWMMKLM

3.63

-22.96

-19.33
3 DDGyMWMMRLM

3.48

-22.24

-18.76
4 DyEyMWMyRMM

4.33

-22.92

-18.59
5 DyEyMWMMRLM

4.46

-22.98

-18.52
6 DDGyMFMMRLM

3.55

-21.98

-18.43
7 DyEyMWMMRLI

4.21

-22.53

-18.32
8 DyEyMFMMRLM

4.13

-22.29

-18.16
9 DyEyMWMMRMM

4.32

-22.25

-17.93
10 DyGyMWMMRLM

3.79

-21.69

-17.9
11 DyGyMsMyRLM

4.19

-21.98

-17.79
12 DyGyMsMMRLM

3.76

-21.53

-17.77
13 DyGyMWMMRMM

3.57

-21.19

-17.62
14 DDGyMWMMRMM

3.53

-20.97

-17.44
15 DyGyMFMMRMM

3.63

-20.99

-17.36
16 DDEyMWMMRLM

4.72

-21.98

-17.26
17 DyEyMsMMRLM

4.22

-21.36

-17.14
18 DyGyMWMMRKM

3.89

-21.02

-17.13
19 DyEyMWMyRLM

4.35

-21.35

-17.0
20 DpGyMWMMRLM

3.69

-20.24

-16.55
21 DDEyMWMMRMM

4.56

-20.98

-16.42
22 DDGyMWMyRLM

3.82

-20.08

-16.26
23 AyGyMWMMRLM

3.96

-20.07

-16.11
24 DyGyMFMyRLM

3.92

-20.0

-16.08
25 DyGyMFMMRLM

4.39

-20.38

-15.99
26 DyEyMWMMRKM

4.8

-20.57

-15.77
27 DyGyMWMyRLM

4.04

-19.74

-15.7
28 DDEyMWMyRLM

4.64

-20.34

-15.7
29 DyGyMWMyRMM

3.83

-18.22

-14.39
30 DyGyMWMMRLI

3.2

-15.4

-12.2

 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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