Predicted ligand sequences


ADAN-name: 2H5K2.PDB (view again the scoring matrix)

PDB name: [2H5K.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y V N
position 1 2 3
poly-Ala y
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 4.024 ΔGbinding -8.560
TOTAL
 -4.536
Backbone Hb -3.710 Cis_bond 0.000
Sidechain Hb -6.080 Torsional clash 0.490
Van der Waals -7.040 Backbone clash 0.710
Electrostatics -3.640 Helix dipole 0.000
Solvation Polar 12.560 Water bridges -0.140
Solvation Hyd -7.560 Disulfide 0.000
VdW clashes 0.210 Electrost. Kon -1.550
Entropy sc 3.560 Part.cov.bonds 0.000
Entropy mc

4.340

 ΔGstability

48.550
       

Predicted ligand sequences for template [2H5K2.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).
 
  2H5K2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yMN 0.0
2 yWN 0.06
3 yLN 0.35
4 yIN 0.46
5 yKN 0.53
6 yMI 2.17
7 yWI 2.23
8 yMT 2.31
9 yWT 2.37
10 yLI 2.52
11 yML 2.62
12 yII 2.63
13 yLT 2.67
14 yWL 2.68
15 yKI 2.7
16 yIT 2.77
17 yKT 2.84
18 yMD 2.9
19 yWD 2.96
20 yLL 2.98
21 yIL 3.08
22 yKL 3.15
23 yLD 3.25
24 yID 3.36
25 yKD 3.43
26 LMN 3.96
27 LWN 4.02
28 IMN 4.26
29 IWN 4.32
30 LLN 4.32
31 VMN 4.34
32 VWN 4.4
33 LIN 4.42
34 LKN 4.5
35 ILN 4.62
36 VLN 4.7
37 IIN 4.72
38 IKN 4.79
39 VIN 4.8
40 VKN 4.88
41 LMI 6.13
42 LWI 6.19
43 LMT 6.28
44 LWT 6.34
45 IMI 6.43
46 IWI 6.49
47 LLI 6.49
48 VMI 6.51
49 VWI 6.57
50 IMT 6.57
51 LII 6.59
52 LML 6.59
53 IWT 6.63
54 LLT 6.63
55 LWL 6.64
56 LKI 6.66
57 VMT 6.66
58 VWT 6.72
59 LIT 6.74
60 ILI 6.78
61 LKT 6.81
62 LMD 6.86
63 VLI 6.87
64 IML 6.88
65 III 6.89
66 LWD 6.92
67 ILT 6.93
68 IWL 6.94
69 LLL 6.94
70 IKI 6.96
71 VML 6.96
72 VII 6.97
73 VLT 7.01
74 VWL 7.02
75 IIT 7.03
76 LIL 7.04
77 VKI 7.04
78 IKT 7.1
79 VIT 7.12
80 LKL 7.12
81 IMD 7.16
82 VKT 7.19
83 LLD 7.22
84 IWD 7.22
85 ILL 7.24
86 VMD 7.24
87 VWD 7.3
88 LID 7.32
89 VLL 7.32
90 IIL 7.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 yLN

4.01

-9.78

-5.77
2 yMN

3.67

-9.42

-5.75
3 yWN

4.18

-9.71

-5.53
4 IMN

0.91

-6.36

-5.45
5 IWN

0.88

-5.94

-5.06
6 LWN

1.0

-5.95

-4.95
7 yIN

4.11

-9.05

-4.94
8 LMN

0.82

-5.72

-4.9
9 yKN

4.0

-8.58

-4.58
10 LLN

0.9

-5.28

-4.38
11 yMT

3.8

-7.48

-3.68
12 yML

4.4

-7.83

-3.43
13 yMI

3.48

-6.88

-3.4
14 yLT

4.44

-7.79

-3.35
15 yLI

3.32

-6.66

-3.34
16 yKI

3.36

-6.65

-3.29
17 yWD

4.02

-7.28

-3.26
18 yMD

3.85

-6.84

-2.99
19 yII

4.04

-6.94

-2.9
20 yWT

3.74

-6.59

-2.85
21 yLD

3.86

-6.47

-2.61
22 yWL

3.68

-6.21

-2.53
23 yWI

3.98

-6.48

-2.5
24 yIT

4.75

-7.23

-2.48
25 yKL

3.64

-6.1

-2.46
26 yLL

3.81

-6.22

-2.41
27 yKT

4.45

-6.66

-2.21
28 yIL

4.56

-6.62

-2.06
29 yKD

4.24

-6.27

-2.03
30 yID

4.41

-6.37

-1.96

 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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