Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-10.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 1.945 ΔGbinding -2.491
TOTAL
 -0.546
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.266
Van der Waals -3.547 Backbone clash 0.039
Electrostatics 0.233 Helix dipole 0.000
Solvation Polar 3.867 Water bridges -0.037
Solvation Hyd -4.836 Disulfide 0.000
VdW clashes 0.325 Electrost. Kon 0.291
Entropy sc 0.617 Part.cov.bonds 0.000
Entropy mc

1.879

 ΔGstability

12.202
       

Predicted ligand sequences for model [LSB3_1SSH-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRKMCPRR 0.0
2 FRRMCPRR 0.02
3 FRKMCPRK 0.04
4 FRRMCPRK 0.06
5 FRKMCPRP 0.12
6 FRWMCPRR 0.14
7 FRRMCPRP 0.14
8 FPKMCPRR 0.14
9 FPRMCPRR 0.16
10 FRWMCPRK 0.18
11 FPKMCPRK 0.18
12 FPRMCPRK 0.2
13 FRKMCWRR 0.21
14 FRRMCWRR 0.23
15 FRKMCWRK 0.24
16 FRWMCPRP 0.26
17 FRRMCWRK 0.26
18 FPKMCPRP 0.26
19 FPWMCPRR 0.28
20 FPRMCPRP 0.28
21 FRKMCPMR 0.29
22 RRKMCPRR 0.29
23 RRRMCPRR 0.3
24 FRKKCPRR 0.3
25 FRKRCPRR 0.3
26 FRRMCPMR 0.31
27 FRRKCPRR 0.32
28 FPWMCPRK 0.32
29 FRKMCFRR 0.32
30 FRKMCPMK 0.32
31 FRRRCPRR 0.32
32 RRKMCPRK 0.32
33 FRRMCFRR 0.33
34 FRKMCWRP 0.33
35 RRRMCPRK 0.34
36 FRRMCPMK 0.34
37 FRKKCPRK 0.34
38 FRKRCPRK 0.34
39 FRRKCPRK 0.35
40 FRRMCWRP 0.35
41 FRKMCFRK 0.35
42 FPKMCWRR 0.35
43 FRWMCWRR 0.35
44 FRRRCPRK 0.36
45 FPRMCWRR 0.37
46 FRRMCFRK 0.37
47 FPKMCWRK 0.38
48 FRWMCWRK 0.38
49 FPRMCWRK 0.4
50 FPWMCPRP 0.4
51 FRKMCPMP 0.41
52 RRKMCPRP 0.41
53 FRKKCPRP 0.42
54 FRKRCPRP 0.42
55 RRRMCPRP 0.43
56 RRWMCPRR 0.43
57 FRRMCPMP 0.43
58 RPKMCPRR 0.43
59 FRWMCPMR 0.43
60 FPKMCPMR 0.43
61 FRRKCPRP 0.44
62 FPKRCPRR 0.44
63 FRKMCFRP 0.44
64 FRWKCPRR 0.44
65 FRWRCPRR 0.44
66 FPKKCPRR 0.44
67 FRRRCPRP 0.44
68 FPRMCPMR 0.45
69 RPRMCPRR 0.45
70 RRWMCPRK 0.46
71 FPRRCPRR 0.46
72 RPKMCPRK 0.46
73 FRWMCPMK 0.46
74 FRRMCFRP 0.46
75 FPRKCPRR 0.46
76 FRWMCFRR 0.46
77 FPKMCPMK 0.46
78 FPKMCFRR 0.46
79 FPKMCWRP 0.47
80 FPRMCFRR 0.47
81 FRWMCWRP 0.47
82 FPKRCPRK 0.48
83 FRWKCPRK 0.48
84 FRWRCPRK 0.48
85 RPRMCPRK 0.48
86 FPKKCPRK 0.48
87 FPRMCPMK 0.48
88 FPWMCWRR 0.49
89 FPRMCWRP 0.49
90 FRKMCWMR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPKMCPRR

1.52

-9.32

-7.8
2 FPKMCPRP

1.8

-8.33

-6.53
3 FPRMCPRR

2.25

-8.48

-6.23
4 FPRMCPRP

1.75

-7.56

-5.81
5 FPWMCPRR

1.87

-7.37

-5.5
6 FRKMCFRR

2.06

-7.34

-5.28
7 FRRMCPRP

2.26

-7.53

-5.27
8 FRRMCPRK

1.53

-6.64

-5.11
9 FRKMCPRP

2.1

-6.97

-4.87
10 FRRMCPMR

1.75

-6.59

-4.84
11 FRWMCPRP

2.11

-6.87

-4.76
12 RRKMCPRR

2.76

-7.45

-4.69
13 FRRMCWRK

2.29

-6.96

-4.67
14 FRRMCWRR

1.75

-6.34

-4.59
15 FRKKCPRR

2.06

-6.62

-4.56
16 FRKMCPMR

1.89

-6.41

-4.52
17 FRKMCPMK

1.83

-6.27

-4.44
18 FRKMCPRK

1.89

-6.32

-4.43
19 FRRMCPRR

2.13

-6.47

-4.34
20 FRKMCWRK

1.85

-6.19

-4.34
21 RRRMCPRR

2.03

-6.3

-4.27
22 FRWMCPRK

2.19

-6.45

-4.26
23 FPRMCPRK

1.48

-5.74

-4.26
24 FRKMCWRR

2.11

-6.23

-4.12
25 FRKMCPRR

2.04

-6.13

-4.09
26 FPWMCPRK

1.68

-5.73

-4.05
27 FRRKCPRR

2.25

-6.26

-4.01
28 FPKMCPRK

2.23

-6.13

-3.9
29 FRKRCPRR

1.94

-5.57

-3.63
30 FRWMCPRR

1.8

-5.39

-3.59

 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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