Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-10.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 1.918 ΔGbinding 2.970
TOTAL
 4.888
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.054
Van der Waals -3.622 Backbone clash 0.356
Electrostatics 0.176 Helix dipole 0.000
Solvation Polar 3.874 Water bridges -0.049
Solvation Hyd -4.929 Disulfide 0.000
VdW clashes 3.356 Electrost. Kon 0.184
Entropy sc 0.189 Part.cov.bonds 0.000
Entropy mc

2.738

 ΔGstability

16.501
       

Predicted ligand sequences for model [YSC84_2A08-10.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).
 
  YSC84_2A08-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKRGRMK 0.0
2 RPRRGRMK 0.01
3 RPKRGRMP 0.03
4 RPKRGRMR 0.03
5 RPRRGRMR 0.04
6 RPRRGRMP 0.04
7 RPWRGRMK 0.13
8 RPWRGRMR 0.15
9 RPKKGRMK 0.15
10 RPWRGRMP 0.16
11 RPRKGRMK 0.16
12 RPKKGRMP 0.18
13 RPKKGRMR 0.18
14 RPRKGRMR 0.19
15 RPRKGRMP 0.2
16 RPKRVRMK 0.22
17 RPRRVRMK 0.24
18 RPKRVRMR 0.25
19 RPKRVRMP 0.26
20 RPRRVRMR 0.26
21 RPRRVRMP 0.27
22 RPWKGRMK 0.28
23 RPKRGMMK 0.28
24 RPRRGMMK 0.29
25 RPKRGMMR 0.3
26 RPKMGRMK 0.31
27 RPWKGRMP 0.31
28 RPKRGRFK 0.31
29 RPWKGRMR 0.31
30 RPKRGMMP 0.31
31 RPRRGMMP 0.32
32 RPRRGMMR 0.32
33 RPRMGRMK 0.32
34 RPRRGRFK 0.33
35 RPKMGRMR 0.34
36 RPKMGRMP 0.34
37 RPKRGRFR 0.34
38 RPKRGRHK 0.35
39 RPKRGRFP 0.35
40 RPRMGRMP 0.35
41 RPRMGRMR 0.35
42 RPRRGRFR 0.35
43 RPWRVRMK 0.35
44 RPRRGRHK 0.36
45 RPRRGRFP 0.36
46 RPKKVRMK 0.37
47 RPKRGRHR 0.38
48 RPKRGRHP 0.38
49 RPWRVRMR 0.38
50 RPWRVRMP 0.38
51 RPRRGRHP 0.39
52 RPRRGRHR 0.39
53 RPRKVRMK 0.39
54 RPWRGMMK 0.4
55 RPKKVRMR 0.4
56 RPRKVRMR 0.41
57 RPKKVRMP 0.41
58 RPRKVRMP 0.42
59 RPWRGMMR 0.43
60 RPKKGMMK 0.43
61 RPWRGMMP 0.44
62 RPRKGMMK 0.44
63 RPWRGRFK 0.44
64 RPWMGRMK 0.44
65 RPKKGMMR 0.45
66 RPWMGRMR 0.46
67 RPKKGRFK 0.46
68 RPKKGMMP 0.46
69 RPWRGRFR 0.47
70 RPWRGRFP 0.47
71 RPRKGMMP 0.47
72 RPRKGMMR 0.47
73 RPWMGRMP 0.47
74 RPWRGRHK 0.48
75 RPRKGRFK 0.48
76 RPKKGRFR 0.49
77 RPWRGRHR 0.5
78 RPKKGRHK 0.5
79 RPRKGRFR 0.5
80 RPKRVMMK 0.5
81 RPWKVRMK 0.5
82 RPKKGRFP 0.5
83 RPWRGRHP 0.51
84 RPRKGRFP 0.51
85 RPRKGRHK 0.51
86 RPRRVMMK 0.51
87 RPKKGRHR 0.53
88 RPKKGRHP 0.53
89 RPKRVMMP 0.53
90 RPKRVMMR 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPKRGRMR

1.22

-8.33

-7.11
2 RPKMGRMK

1.17

-8.08

-6.91
3 RPRKGRMR

1.13

-7.86

-6.73
4 RPKKGRMP

0.97

-7.57

-6.6
5 RPRRGRMK

1.22

-7.6

-6.38
6 RPKRGRMK

1.25

-7.63

-6.38
7 RPRRGRMP

1.26

-7.42

-6.16
8 RPRKGRMP

1.11

-7.23

-6.12
9 RPKKGRMK

1.23

-7.24

-6.01
10 RPRKGRMK

1.14

-7.14

-6.0
11 RPRRGRMR

1.18

-7.17

-5.99
12 RPWKGRMP

1.1

-7.09

-5.99
13 RPWRGRMR

1.55

-7.45

-5.9
14 RPRRGMMK

1.13

-7.01

-5.88
15 RPWKGRMR

1.23

-6.99

-5.76
16 RPKRGRMP

1.23

-6.98

-5.75
17 RPWKGRMK

1.09

-6.72

-5.63
18 RPKKGRMR

1.25

-6.67

-5.42
19 RPWRGRMK

1.13

-6.53

-5.4
20 RPKRGMMK

1.11

-6.41

-5.3
21 RPKRGMMP

1.44

-6.66

-5.22
22 RPKRGMMR

1.62

-6.68

-5.06
23 RPKRGRFK

1.23

-5.85

-4.62
24 RPWRGRMP

1.2

-5.36

-4.16
25 RPRRVRMR

1.62

-2.45

-0.83
26 RPKRVRMR

1.55

-1.67

-0.12
27 RPKRVRMP

1.9

-1.61

0.29
28 RPRRVRMK

1.74

-1.35

0.39
29 RPKRVRMK

1.58

-0.76

0.82
30 RPRRVRMP

2.01

-0.82

1.19

 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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