Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-2.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
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 1.464 ΔGbinding 3.500
TOTAL
 4.964
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.909
Van der Waals -5.138 Backbone clash 0.058
Electrostatics -0.198 Helix dipole 0.000
Solvation Polar 5.111 Water bridges 0.000
Solvation Hyd -7.646 Disulfide 0.000
VdW clashes 10.160 Electrost. Kon -0.307
Entropy sc 1.077 Part.cov.bonds 0.000
Entropy mc

2.081

 ΔGstability

19.715
       

Predicted ligand sequences for model [LSB3_1SSH-2.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).
 
  LSB3_1SSH-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRHRFIDMP 0.0
2 KRRHRFIDMH 0.02
3 KRRHRFIPMP 0.05
4 KRRHRFRDMP 0.05
5 KRRHRFPDMP 0.06
6 KRRHRFIPMH 0.07
7 KRRHRGIDMP 0.07
8 KRRHRFRDMH 0.07
9 KRRHRFPDMH 0.08
10 KRRHRFIDMW 0.09
11 KRRHRGIDMH 0.09
12 KRRHRFRPMP 0.1
13 KRRHRFPPMP 0.11
14 KRRHRGRDMP 0.12
15 KRRHRGIPMP 0.12
16 KRRHKFIDMP 0.12
17 KRRHRFIDPP 0.12
18 KRRHRFRPMH 0.12
19 KRRHRFPPMH 0.13
20 KRRHRFIRMP 0.13
21 KRRHRGIPMH 0.14
22 KRRHRFIPMW 0.14
23 KRRHRFIDPH 0.14
24 KRRHRGRDMH 0.14
25 KRRHKFIDMH 0.14
26 KRKHRFIDMP 0.14
27 KRRHRGPDMP 0.14
28 KRRHRFRDMW 0.14
29 KRRHRFIRMH 0.15
30 KRRHRFPDMW 0.15
31 KRRHKFIPMP 0.16
32 KRKHRFIDMH 0.16
33 KRRHRGIDMW 0.16
34 KRRHRGPDMH 0.16
35 KRRHRFIPPP 0.16
36 KRRHRGRPMP 0.17
37 KRRHRFRDPP 0.17
38 KRRHKFRDMP 0.17
39 KRRHPFIDMP 0.17
40 KRRHKFPDMP 0.18
41 KRRHRFRDPH 0.18
42 KRRHKFIPMH 0.18
43 KRRHKFRDMH 0.18
44 KRRHRFRPMW 0.18
45 KRRHRGPPMP 0.18
46 KRRHRFPDPP 0.18
47 KRRHRFRRMP 0.18
48 KRRHRFIPPH 0.18
49 KRRHRGRPMH 0.19
50 KRKHRFRDMP 0.19
51 KRRHKGIDMP 0.19
52 KRKHRFIPMP 0.19
53 KRRHRGIDPP 0.19
54 KRRHPFIDMH 0.19
55 KRRHRFPPMW 0.2
56 KRRHKFPDMH 0.2
57 KRRHRGIRMP 0.2
58 KRRHKFIDMW 0.2
59 KRRHRFIDPW 0.2
60 KRRHRGPPMH 0.2
61 KRRHRFPDPH 0.2
62 KRRHRFPRMP 0.2
63 KRRHRFRRMH 0.2
64 KRRHRGIPMW 0.21
65 KRKHRFRDMH 0.21
66 KRRHKGIDMH 0.21
67 KRRHRFRPPP 0.21
68 KRRHRGRDMW 0.21
69 KRKHRFIPMH 0.21
70 KRKHRFPDMP 0.21
71 KRRHKFRPMP 0.21
72 KRRHRGIDPH 0.21
73 KRKHRGIDMP 0.21
74 KRRHRFPRMH 0.21
75 KRRHRFIRMW 0.22
76 KRRHPFIPMP 0.22
77 KRRHRGIRMH 0.22
78 KRRHPFRDMP 0.22
79 KRRHRGPDMW 0.22
80 KRRHRFPPPP 0.23
81 KRRHKGIPMP 0.23
82 KRRHRFRPPH 0.23
83 RRRHRFIDMP 0.23
84 KRRHKFIDPP 0.23
85 KRKHRFPDMH 0.23
86 KRKHRFIDMW 0.23
87 KRRHKFRPMH 0.23
88 KRRHRGIPPP 0.23
89 KRRHKFPPMP 0.23
90 KRKHRGIDMH 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRHRFIDPP

2.42

-9.75

-7.33
2 KRRHRFPDMP

3.6

-10.71

-7.11
3 KRRHRFPPMP

2.62

-9.3

-6.68
4 KRRHRFIDMP

4.24

-10.89

-6.65
5 KRRHRFIRMH

3.88

-10.53

-6.65
6 KRRHRGIPMP

2.16

-8.68

-6.52
7 KRRHRFIPMP

3.85

-10.3

-6.45
8 KRRHRFRDMP

2.72

-9.08

-6.36
9 KRRHRGPDMP

2.31

-8.67

-6.36
10 KRRHRFIDPH

2.53

-8.75

-6.22
11 KRRHRFIRMP

4.32

-10.5

-6.18
12 KRRHRGIDMP

2.19

-8.26

-6.07
13 KRRHRFRPMP

2.87

-8.89

-6.02
14 KRKHRFIDMP

2.76

-8.78

-6.02
15 KRRHRFPDMW

4.11

-10.02

-5.91
16 KRRHRFRDMW

4.41

-10.21

-5.8
17 KRRHRGIPMH

3.28

-8.93

-5.65
18 KRRHKFIDMP

3.94

-9.58

-5.64
19 KRRHRFIDMH

3.77

-9.29

-5.52
20 KRRHRFIPMW

3.66

-8.89

-5.23
21 KRRHKFIDMH

3.51

-8.72

-5.21
22 KRRHRFPPMH

3.19

-8.26

-5.07
23 KRRHRFIPMH

3.09

-7.96

-4.87
24 KRRHRGRDMH

2.27

-6.84

-4.57
25 KRRHRFPDMH

3.5

-8.0

-4.5
26 KRRHRFIDMW

3.41

-7.84

-4.43
27 KRRHRFRDMH

3.06

-7.36

-4.3
28 KRRHRFRPMH

4.02

-8.32

-4.3
29 KRRHRGRDMP

3.18

-7.27

-4.09
30 KRRHRGIDMH

3.12

-7.05

-3.93

 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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