Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
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 1.129 ΔGbinding -1.671
TOTAL
 -0.542
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.302
Van der Waals -1.689 Backbone clash 0.000
Electrostatics -0.083 Helix dipole 0.000
Solvation Polar 1.883 Water bridges -0.085
Solvation Hyd -2.497 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon -0.074
Entropy sc 0.306 Part.cov.bonds 0.000
Entropy mc

1.478

 ΔGstability

23.596
       

Predicted ligand sequences for model [BUD14_1GCQ-12.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).
 
  BUD14_1GCQ-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RTIPRWWK 0.0
2 RTIPRWWR 0.04
3 RTILRWWK 0.06
4 RSIPRWWK 0.08
5 RTIPPWWK 0.08
6 RTIPKWWK 0.09
7 RTILRWWR 0.1
8 RSIPRWWR 0.12
9 RTIPPWWR 0.12
10 KTIPRWWK 0.12
11 RTIPKWWR 0.13
12 RTILPWWK 0.14
13 RSILRWWK 0.14
14 RTIIRWWK 0.15
15 RTILKWWK 0.15
16 RSIPPWWK 0.16
17 KTIPRWWR 0.16
18 RVIPRWWK 0.17
19 RSIPKWWK 0.17
20 RTILPWWR 0.18
21 KTILRWWK 0.18
22 RSILRWWR 0.18
23 RTIIRWWR 0.19
24 RTILKWWR 0.19
25 HTIPRWWK 0.19
26 KTIPPWWK 0.2
27 KSIPRWWK 0.2
28 RSIPPWWR 0.2
29 KTIPKWWK 0.21
30 RVIPRWWR 0.21
31 RSIPKWWR 0.21
32 RSILPWWK 0.22
33 RVILRWWK 0.23
34 RSIIRWWK 0.23
35 HTIPRWWR 0.23
36 KTILRWWR 0.23
37 RSILKWWK 0.23
38 RTIIPWWK 0.23
39 RTIIKWWK 0.24
40 HTILRWWK 0.25
41 KTIPPWWR 0.25
42 KSIPRWWR 0.25
43 RVIPPWWK 0.25
44 RSILPWWR 0.26
45 RVIPKWWK 0.26
46 KTIPKWWR 0.26
47 HSIPRWWK 0.27
48 RVILRWWR 0.27
49 HTIPPWWK 0.27
50 RSIIRWWR 0.27
51 KTIIRWWK 0.27
52 KTILPWWK 0.27
53 RTIIPWWR 0.27
54 KSILRWWK 0.27
55 KTILKWWK 0.28
56 RTIIKWWR 0.28
57 RSILKWWR 0.28
58 HTIPKWWK 0.28
59 HTILRWWR 0.29
60 KSIPPWWK 0.29
61 KVIPRWWK 0.29
62 RVIPPWWR 0.29
63 RVIPKWWR 0.3
64 KSIPKWWK 0.3
65 HSIPRWWR 0.31
66 RSIIPWWK 0.31
67 HTIPPWWR 0.31
68 RVILPWWK 0.31
69 KTIIRWWR 0.31
70 RVIIRWWK 0.31
71 KTILPWWR 0.31
72 KSILRWWR 0.31
73 KTILKWWR 0.32
74 RSIIKWWK 0.32
75 RVILKWWK 0.32
76 HTILPWWK 0.33
77 KSIPPWWR 0.33
78 KVIPRWWR 0.33
79 HSILRWWK 0.33
80 HTIPKWWR 0.33
81 HTIIRWWK 0.34
82 HTILKWWK 0.34
83 KSIPKWWR 0.34
84 KSIIRWWK 0.35
85 KSILPWWK 0.35
86 KVILRWWK 0.35
87 RSIIPWWR 0.35
88 RVILPWWR 0.35
89 KTIIPWWK 0.35
90 RVIIRWWR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RSIPRWWR

1.66

-7.31

-5.65
2 RTIPPWWK

1.78

-7.35

-5.57
3 RVIPRWWR

1.69

-7.09

-5.4
4 RSIPPWWK

2.08

-7.27

-5.19
5 RTIPRWWK

1.96

-7.12

-5.16
6 RTIIRWWR

2.33

-7.44

-5.11
7 KTIPPWWK

2.11

-7.17

-5.06
8 RTILPWWR

2.9

-7.95

-5.05
9 KTIPRWWR

2.48

-7.31

-4.83
10 HTIPRWWK

1.56

-6.38

-4.82
11 RTIPKWWR

2.5

-7.29

-4.79
12 RTIIRWWK

1.59

-6.36

-4.77
13 RTILPWWK

3.0

-7.71

-4.71
14 RSIPPWWR

1.93

-6.59

-4.66
15 RTILRWWR

3.04

-7.61

-4.57
16 RTIPPWWR

2.63

-7.17

-4.54
17 RTILKWWK

2.51

-7.05

-4.54
18 RSIPKWWK

2.31

-6.85

-4.54
19 KTIPKWWK

2.98

-7.44

-4.46
20 RSIPRWWK

1.48

-5.82

-4.34
21 RTILKWWR

1.82

-6.16

-4.34
22 KSIPRWWK

2.14

-6.32

-4.18
23 RSILRWWK

2.9

-6.99

-4.09
24 RVIPRWWK

2.78

-6.56

-3.78
25 RTIPKWWK

2.1

-5.84

-3.74
26 RSILRWWR

2.5

-6.16

-3.66
27 RTILRWWK

2.62

-6.21

-3.59
28 RTIPRWWR

2.61

-6.12

-3.51
29 KTILRWWK

2.42

-5.84

-3.42
30 KTIPRWWK

2.19

-5.49

-3.3

 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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