Predicted ligand sequences


ADAN-name: 2IUH2.PDB (view again the scoring matrix)

PDB name: [2IUH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T N E y M D M K
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 2.192 ΔGbinding -17.920
TOTAL
 -15.728
Backbone Hb -6.150 Cis_bond 0.000
Sidechain Hb -6.070 Torsional clash 0.090
Van der Waals -13.380 Backbone clash 0.610
Electrostatics -3.690 Helix dipole -0.120
Solvation Polar 18.140 Water bridges -0.790
Solvation Hyd -16.600 Disulfide 0.000
VdW clashes 0.410 Electrost. Kon -2.130
Entropy sc 7.650 Part.cov.bonds 0.000
Entropy mc

4.710

 ΔGstability

-0.740
       

Predicted ligand sequences for template [2IUH2.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).
 
  2IUH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PDyyMsMy 0.0
2 SDyyMsMy 0.16
3 PDyyMsMF 0.24
4 PDyyMsMS 0.24
5 PDsyMsMy 0.27
6 PDyyMsMW 0.3
7 PDyyMsMH 0.34
8 PDyyLsMy 0.35
9 SDyyMsMF 0.4
10 SDyyMsMS 0.4
11 PDWyMsMy 0.42
12 SDsyMsMy 0.43
13 SDyyMsMW 0.46
14 PDsyMsMS 0.5
15 SDyyMsMH 0.5
16 PDsyMsMF 0.51
17 SDyyLsMy 0.51
18 PDsyMsMW 0.57
19 SDWyMsMy 0.58
20 sDyyMsMy 0.58
21 PDyyLsMS 0.58
22 PDyyLsMF 0.59
23 PDsyMsMH 0.6
24 PDsyLsMy 0.61
25 PDyyLsMW 0.65
26 SDsyMsMS 0.66
27 PDWyMsMF 0.66
28 PDWyMsMS 0.66
29 SDsyMsMF 0.67
30 PDyyLsMH 0.69
31 PDWyMsMW 0.72
32 SDsyMsMW 0.73
33 SDyyLsMS 0.74
34 SDyyLsMF 0.75
35 PDWyMsMH 0.76
36 SDsyMsMH 0.77
37 SDsyLsMy 0.77
38 PDWyLsMy 0.77
39 SDyyLsMW 0.81
40 sDyyMsMS 0.81
41 SDWyMsMS 0.82
42 SDWyMsMF 0.82
43 sDyyMsMF 0.82
44 sDsyMsMy 0.84
45 PDsyLsMF 0.85
46 PDsyLsMS 0.85
47 SDyyLsMH 0.85
48 sDyyMsMW 0.88
49 SDWyMsMW 0.88
50 PDsyLsMW 0.92
51 sDyyLsMy 0.92
52 SDWyMsMH 0.92
53 sDyyMsMH 0.92
54 SDWyLsMy 0.93
55 PDsyLsMH 0.95
56 sDWyMsMy 1.0
57 PDWyLsMS 1.0
58 SDsyLsMS 1.01
59 SDsyLsMF 1.01
60 PDWyLsMF 1.01
61 PDWyLsMW 1.07
62 SDsyLsMW 1.08
63 sDsyMsMF 1.08
64 sDsyMsMS 1.08
65 SDsyLsMH 1.11
66 PDWyLsMH 1.11
67 sDsyMsMW 1.15
68 SDWyLsMS 1.16
69 sDyyLsMS 1.16
70 SDWyLsMF 1.17
71 sDyyLsMF 1.17
72 sDsyMsMH 1.18
73 sDsyLsMy 1.19
74 SDWyLsMW 1.23
75 sDyyLsMW 1.23
76 sDWyMsMS 1.23
77 sDWyMsMF 1.24
78 sDyyLsMH 1.26
79 SDWyLsMH 1.27
80 sDWyMsMW 1.3
81 sDWyMsMH 1.34
82 sDWyLsMy 1.35
83 sDsyLsMF 1.43
84 sDsyLsMS 1.43
85 sDsyLsMW 1.49
86 sDsyLsMH 1.53
87 sDWyLsMS 1.58
88 sDWyLsMF 1.59
89 sDWyLsMW 1.65
90 sDWyLsMH 1.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PDsyMsMS

2.09

-24.16

-22.07
2 PDsyMsMH

2.23

-24.09

-21.86
3 SDsyMsMS

2.1

-23.77

-21.67
4 PDyyLsMS

2.27

-23.65

-21.38
5 SDsyMsMF

2.28

-23.47

-21.19
6 SDsyMsMy

2.6

-23.75

-21.15
7 PDsyMsMy

3.44

-24.52

-21.08
8 PDyyLsMy

2.52

-23.42

-20.9
9 SDyyMsMS

2.09

-22.99

-20.9
10 PDsyMsMW

2.55

-23.31

-20.76
11 PDsyMsMF

2.29

-22.9

-20.61
12 PDyyLsMH

2.45

-23.05

-20.6
13 PDyyMsMy

2.15

-22.73

-20.58
14 PDyyLsMW

2.2

-22.09

-19.89
15 PDsyLsMy

3.5

-22.79

-19.29
16 PDyyLsMF

2.35

-21.46

-19.11
17 SDyyLsMy

2.94

-21.35

-18.41
18 PDyyMsMF

2.19

-20.02

-17.83
19 PDyyMsMW

2.81

-20.63

-17.82
20 PDWyMsMy

2.87

-20.67

-17.8
21 PDyyMsMS

2.11

-19.67

-17.56
22 PDyyMsMH

2.48

-19.93

-17.45
23 PDWyMsMF

2.34

-19.76

-17.42
24 sDyyMsMy

2.46

-19.71

-17.25
25 SDyyMsMF

2.6

-19.82

-17.22
26 PDWyMsMS

2.37

-19.45

-17.08
27 SDyyMsMH

2.43

-19.3

-16.87
28 SDyyMsMW

2.51

-18.52

-16.01
29 SDyyMsMy

2.75

-17.51

-14.76
30 SDWyMsMy

2.67

-16.73

-14.06

 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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