Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-29.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 0.355 ΔGbinding 1.297
TOTAL
 1.652
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.399
Van der Waals -3.286 Backbone clash 0.000
Electrostatics 0.150 Helix dipole 0.000
Solvation Polar 3.374 Water bridges -0.057
Solvation Hyd -4.348 Disulfide 0.000
VdW clashes 2.069 Electrost. Kon 0.171
Entropy sc 0.295 Part.cov.bonds 0.000
Entropy mc

2.530

 ΔGstability

17.306
       

Predicted ligand sequences for model [LSB3_1SSH-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRPWWFPRKK 0.0
2 ERPWWFPRKK 0.0
3 ERPWWMPRKK 0.02
4 DRPWWMPRKK 0.02
5 DRPWWFPRKH 0.03
6 ERPWWFPRKH 0.03
7 ERPWWMPRKH 0.05
8 DRPWWFPRRK 0.05
9 DRPWWMPRKH 0.05
10 ERPWWFPRRK 0.05
11 DRPWWFPRKR 0.06
12 ERPWWFPRKR 0.06
13 ERPMWFPRKK 0.07
14 DRPWWFPRRH 0.07
15 ERPWWFHRKK 0.07
16 DRPMWFPRKK 0.07
17 ERPWWMPRRK 0.07
18 ERPWWFPRRH 0.07
19 DRPWWFHRKK 0.07
20 DRPWWMPRRK 0.07
21 ERPWWMPRKR 0.08
22 DRPWWMPRKR 0.08
23 DRPWWMHRKK 0.09
24 DRPMWMPRKK 0.09
25 ERPMWMPRKK 0.09
26 ERPWWMHRKK 0.09
27 ERPWWMPRRH 0.09
28 DRPWWMPRRH 0.09
29 ERPMWFPRKH 0.1
30 ERPWWFHRKH 0.1
31 DRPMWFPRKH 0.1
32 DRPWWFHRKH 0.1
33 DRPWWFPRRR 0.11
34 ERPWWFPRRR 0.11
35 DRPFWFPRKK 0.12
36 ERPWWFHRRK 0.12
37 DRPWWFHRRK 0.12
38 DRPWWMHRKH 0.12
39 DRPMWMPRKH 0.12
40 ERPMWMPRKH 0.12
41 DRPMWFPRRK 0.12
42 ERPWWMHRKH 0.12
43 ERPMWFPRRK 0.12
44 ERPFWFPRKK 0.12
45 ERPMWFPRKR 0.13
46 ERPWWFHRKR 0.13
47 ERRWWFPRKK 0.13
48 DRPMWFPRKR 0.13
49 ERPWWMPRRR 0.13
50 DRRWWFPRKK 0.13
51 DRPWWFHRKR 0.13
52 DRPWWMPRRR 0.13
53 ERPWWMHRRK 0.14
54 DRPMWFHRKK 0.14
55 DRPFWFPRKH 0.14
56 ERPWWFHRRH 0.14
57 ERPFWMPRKK 0.14
58 DRPFWMPRKK 0.14
59 DRPMWFPRRH 0.14
60 ERPMWFPRRH 0.14
61 DRPWWFHRRH 0.14
62 ERPMWMPRRK 0.14
63 DRPMWMPRRK 0.14
64 ERPMWFHRKK 0.14
65 DRPWWMHRRK 0.14
66 ERPFWFPRKH 0.14
67 DRPWWMHRKR 0.15
68 DRPMWMPRKR 0.15
69 ERPMWMPRKR 0.15
70 ERPWWMHRKR 0.15
71 ERRWWMPRKK 0.15
72 DRRWWMPRKK 0.15
73 ERPWWMHRRH 0.16
74 ERPFWMPRKH 0.16
75 DRPFWMPRKH 0.16
76 DRPMWMHRKK 0.16
77 ERPMWMPRRH 0.16
78 DRPFWFPRRK 0.16
79 ERPFWFPRRK 0.16
80 ERRWWFPRKH 0.16
81 DRPMWMPRRH 0.16
82 DRRWWFPRKH 0.16
83 DRPWWMHRRH 0.16
84 ERPMWMHRKK 0.16
85 DRPMWFHRKH 0.17
86 ERPWWFHRRR 0.17
87 ERPMWFHRKH 0.17
88 ERPFWFPRKR 0.17
89 DRPFWFPRKR 0.18
90 DRRWWFPRRK 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRPMWMPRKK

1.02

-13.84

-12.82
2 DRPWWMPRKK

1.12

-13.86

-12.74
3 ERPWWMHRKK

1.14

-13.63

-12.49
4 ERPWWMPRKR

0.98

-13.36

-12.38
5 ERPWWMPRKK

1.1

-13.33

-12.23
6 DRPWWMPRKH

1.05

-13.27

-12.22
7 ERPWWMPRRK

1.68

-13.89

-12.21
8 DRPWWMPRRK

2.03

-14.23

-12.2
9 DRPWWMPRKR

0.98

-13.17

-12.19
10 ERPWWMPRKH

0.86

-13.0

-12.14
11 DRPWWMPRRH

1.68

-13.62

-11.94
12 ERPWWMPRRH

1.85

-13.78

-11.93
13 ERPMWFPRKK

0.97

-12.8

-11.83
14 ERPMWMPRKK

1.32

-12.72

-11.4
15 DRPWWMHRKK

0.93

-12.09

-11.16
16 DRPMWFPRKK

0.86

-11.9

-11.04
17 ERPMWFPRKH

1.24

-12.25

-11.01
18 DRPWWFPRKH

1.17

-12.05

-10.88
19 ERPWWFPRKK

1.5

-12.18

-10.68
20 DRPWWFPRKK

1.02

-11.69

-10.67
21 ERPWWFHRKH

0.85

-11.37

-10.52
22 ERPWWFPRKR

0.98

-11.42

-10.44
23 DRPWWFPRKR

0.98

-11.37

-10.39
24 DRPWWFHRKK

1.06

-11.34

-10.28
25 ERPWWFHRKK

0.88

-11.15

-10.27
26 ERPWWFPRRK

1.95

-12.15

-10.2
27 ERPWWFPRKH

0.95

-11.12

-10.17
28 DRPWWFPRRK

1.97

-12.09

-10.12
29 DRPWWFPRRH

1.63

-11.06

-9.43
30 ERPWWFPRRH

1.63

-10.11

-8.48

 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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