Predicted ligand sequences


ADAN-name: 2BUG2.PDB (view again the scoring matrix)

PDB name: [2BUG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M E E V D
position 1 2 3 4 5
poly-Ala
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 3.040 ΔGbinding -3.162
TOTAL
 -0.122
Backbone Hb -0.600 Cis_bond 0.000
Sidechain Hb -3.425 Torsional clash 0.204
Van der Waals -4.463 Backbone clash 0.211
Electrostatics -3.371 Helix dipole -0.039
Solvation Polar 8.668 Water bridges 0.037
Solvation Hyd -5.744 Disulfide 0.000
VdW clashes 2.254 Electrost. Kon -2.031
Entropy sc 3.664 Part.cov.bonds 0.000
Entropy mc

1.685

 ΔGstability

-3.457
       

Predicted ligand sequences for template [2BUG2.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).
 
  2BUG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SNNKD 0.0
2 SNSKD 0.03
3 DNNKD 0.03
4 SNQKD 0.05
5 ANNKD 0.05
6 PNNKD 0.05
7 DNSKD 0.06
8 DNQKD 0.08
9 ANSKD 0.08
10 PNSKD 0.08
11 PNQKD 0.1
12 ANQKD 0.1
13 SDNKD 0.33
14 SDSKD 0.36
15 DDNKD 0.36
16 SINKD 0.37
17 SNTKD 0.37
18 ADNKD 0.38
19 SDQKD 0.38
20 PDNKD 0.38
21 DDSKD 0.39
22 DNTKD 0.4
23 SISKD 0.4
24 DINKD 0.4
25 SENKD 0.41
26 DDQKD 0.41
27 SNNKN 0.41
28 PDSKD 0.41
29 ADSKD 0.41
30 SIQKD 0.42
31 PINKD 0.42
32 PNTKD 0.42
33 ANTKD 0.42
34 AINKD 0.42
35 DISKD 0.43
36 PDQKD 0.43
37 ADQKD 0.43
38 SNSKN 0.44
39 DNNKN 0.44
40 DENKD 0.44
41 SESKD 0.44
42 DIQKD 0.45
43 AISKD 0.45
44 PISKD 0.45
45 SNQKN 0.46
46 ANNKN 0.46
47 PNNKN 0.46
48 AENKD 0.46
49 PENKD 0.46
50 SEQKD 0.46
51 DESKD 0.47
52 DNSKN 0.47
53 PIQKD 0.47
54 AIQKD 0.47
55 AESKD 0.48
56 PESKD 0.48
57 DNQKN 0.49
58 DEQKD 0.49
59 ANSKN 0.49
60 PNSKN 0.49
61 PNQKN 0.51
62 PEQKD 0.51
63 AEQKD 0.51
64 ANQKN 0.51
65 SDTKD 0.7
66 DDTKD 0.73
67 SDNKN 0.74
68 SITKD 0.74
69 PDTKD 0.75
70 ADTKD 0.75
71 SDSKN 0.77
72 DITKD 0.77
73 DDNKN 0.77
74 SETKD 0.78
75 SINKN 0.78
76 SNTKN 0.78
77 ADNKN 0.79
78 PITKD 0.79
79 PDNKN 0.79
80 SDQKN 0.79
81 AITKD 0.79
82 DDSKN 0.8
83 SISKN 0.81
84 DETKD 0.81
85 DNTKN 0.81
86 DINKN 0.81
87 SENKN 0.82
88 DDQKN 0.82
89 PDSKN 0.82
90 ADSKN 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ADSKD

2.98

-6.82

-3.84
2 DDSKD

2.25

-4.84

-2.59
3 DNQKD

2.54

-5.02

-2.48
4 SISKD

2.5

-4.94

-2.44
5 SNNKD

3.03

-5.32

-2.29
6 ANQKD

2.61

-4.57

-1.96
7 PDNKD

2.94

-4.62

-1.68
8 ANSKD

2.47

-4.1

-1.63
9 DINKD

2.57

-4.11

-1.54
10 DDQKD

2.52

-3.82

-1.3
11 DDNKD

2.52

-3.29

-0.77
12 SNSKD

2.48

-3.17

-0.69
13 PNSKD

2.58

-3.1

-0.52
14 SNTKD

2.72

-3.22

-0.5
15 SNQKD

2.41

-2.87

-0.46
16 ANNKD

2.46

-2.9

-0.44
17 PDSKD

2.63

-3.04

-0.41
18 DNSKD

2.46

-2.74

-0.28
19 SENKD

2.8

-3.06

-0.26
20 SINKD

2.78

-3.03

-0.25
21 SDSKD

2.81

-3.04

-0.23
22 DNTKD

2.81

-3.0

-0.19
23 SNNKN

2.76

-2.78

-0.02
24 SDQKD

2.82

-2.75

0.07
25 DNNKD

3.05

-2.9

0.15
26 SIQKD

2.36

-2.12

0.24
27 ADNKD

2.55

-1.63

0.92
28 PNQKD

2.75

-1.74

1.01
29 PNNKD

2.7

-1.6

1.1
30 SDNKD

2.56

-1.23

1.33

 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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