Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-28.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 0.731 ΔGbinding -0.918
TOTAL
 -0.187
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.326
Van der Waals -5.324 Backbone clash 0.189
Electrostatics 0.368 Helix dipole 0.000
Solvation Polar 5.612 Water bridges -0.129
Solvation Hyd -7.554 Disulfide 0.000
VdW clashes 3.475 Electrost. Kon 0.451
Entropy sc 0.791 Part.cov.bonds 0.000
Entropy mc

3.617

 ΔGstability

13.307
       

Predicted ligand sequences for model [LSB3_2A08-28.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_2A08-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIWRRRHR 0.0
2 RPPIWRRKHR 0.07
3 RPPIWRRRKR 0.08
4 RPPIWRRPHR 0.09
5 RPPIWRRKKR 0.15
6 RPPIWRRPKR 0.17
7 RPPKWRRRHR 0.17
8 RPEIWRRRHR 0.17
9 IPPIWRRRHR 0.18
10 RPEIWRRKHR 0.24
11 RPPKWRRKHR 0.24
12 IPPIWRRKHR 0.25
13 RPPKWRRRKR 0.25
14 RPEIWRRPHR 0.26
15 RPEIWRRRKR 0.26
16 RPPKWRRPHR 0.26
17 RPRIWRRRHR 0.26
18 IPPIWRRPHR 0.27
19 IPPIWRRRKR 0.27
20 RPPKWRRKKR 0.32
21 RPEIWRRKKR 0.33
22 RPRIWRRKHR 0.33
23 RPPKWRRPKR 0.34
24 RPRIWRRPHR 0.34
25 IPPIWRRKKR 0.34
26 RPEKWRRRHR 0.34
27 RPRIWRRRKR 0.34
28 IPPKWRRRHR 0.35
29 FPPIWRRRHR 0.35
30 IPEIWRRRHR 0.35
31 RPEIWRRPKR 0.35
32 IPPIWRRPKR 0.36
33 RPRIWRRKKR 0.41
34 RPEKWRRKHR 0.41
35 RPEKWRRRKR 0.42
36 IPPKWRRKHR 0.42
37 FPPIWRRKHR 0.42
38 RPRKWRRRHR 0.42
39 IPEIWRRKHR 0.43
40 RPEKWRRPHR 0.43
41 FPPIWRRRKR 0.43
42 RPRIWRRPKR 0.43
43 IPRIWRRRHR 0.44
44 IPEIWRRPHR 0.44
45 IPPKWRRRKR 0.44
46 IPPKWRRPHR 0.44
47 FPPIWRRPHR 0.44
48 IPEIWRRRKR 0.44
49 RPRKWRRKHR 0.5
50 FPPIWRRKKR 0.5
51 RPEKWRRKKR 0.5
52 IPEIWRRKKR 0.51
53 IPPKWRRKKR 0.51
54 RPRKWRRPHR 0.51
55 RPRKWRRRKR 0.51
56 RPEKWRRPKR 0.51
57 IPRIWRRKHR 0.51
58 FPPKWRRRHR 0.52
59 IPRIWRRRKR 0.52
60 FPPIWRRPKR 0.52
61 IPEKWRRRHR 0.52
62 FPEIWRRRHR 0.52
63 IPEIWRRPKR 0.53
64 IPRIWRRPHR 0.53
65 IPPKWRRPKR 0.53
66 RPRKWRRKKR 0.58
67 IPEKWRRKHR 0.59
68 FPPKWRRKHR 0.59
69 IPRIWRRKKR 0.59
70 FPEIWRRKHR 0.59
71 FPEIWRRRKR 0.6
72 FPPKWRRRKR 0.6
73 RPRKWRRPKR 0.6
74 FPRIWRRRHR 0.6
75 IPRIWRRPKR 0.61
76 IPRKWRRRHR 0.61
77 IPEKWRRPHR 0.61
78 FPEIWRRPHR 0.61
79 FPPKWRRPHR 0.61
80 IPEKWRRRKR 0.61
81 FPPKWRRKKR 0.67
82 FPRIWRRKHR 0.67
83 IPRKWRRKHR 0.68
84 IPEKWRRKKR 0.68
85 FPEIWRRKKR 0.68
86 FPPKWRRPKR 0.69
87 FPEKWRRRHR 0.69
88 FPEIWRRPKR 0.69
89 IPRKWRRRKR 0.69
90 FPRIWRRRKR 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPEIWRRRHR

2.43

-18.11

-15.68
2 IPPKWRRRHR

2.44

-17.82

-15.38
3 RPPKWRRKHR

2.31

-16.82

-14.51
4 RPPKWRRRKR

2.48

-16.69

-14.21
5 IPPIWRRRHR

2.19

-16.33

-14.14
6 RPPIWRRKHR

2.22

-16.33

-14.11
7 IPEIWRRRHR

2.02

-15.92

-13.9
8 RPRIWRRRHR

2.61

-16.46

-13.85
9 RPPIWRRRHR

2.75

-16.25

-13.5
10 RPRIWRRKHR

2.26

-15.65

-13.39
11 RPEIWRRKHR

2.42

-15.63

-13.21
12 RPRIWRRPHR

2.96

-16.16

-13.2
13 RPPKWRRRHR

2.57

-15.7

-13.13
14 IPPIWRRKHR

2.17

-15.21

-13.04
15 RPPIWRRPHR

2.57

-15.48

-12.91
16 FPPIWRRRHR

2.66

-15.3

-12.64
17 RPPIWRRRKR

2.6

-14.91

-12.31
18 RPEIWRRKKR

2.26

-14.54

-12.28
19 RPEIWRRRKR

2.88

-15.05

-12.17
20 RPPIWRRKKR

2.62

-14.72

-12.1
21 RPEIWRRPHR

2.38

-14.42

-12.04
22 RPPKWRRKKR

2.84

-14.83

-11.99
23 IPPIWRRKKR

2.72

-14.54

-11.82
24 IPPIWRRPHR

2.92

-14.6

-11.68
25 RPPIWRRPKR

2.79

-14.33

-11.54
26 RPPKWRRPKR

3.1

-14.54

-11.44
27 RPRIWRRRKR

2.41

-13.81

-11.4
28 RPEKWRRRHR

2.46

-13.68

-11.22
29 IPPIWRRRKR

2.35

-13.51

-11.16
30 RPPKWRRPHR

3.8

-14.5

-10.7

 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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