Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-27.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
poly-Ala
A
 G
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 0.351 ΔGbinding -2.889
TOTAL
 -2.538
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.226
Van der Waals -4.945 Backbone clash 0.059
Electrostatics -0.311 Helix dipole 0.000
Solvation Polar 6.288 Water bridges -0.146
Solvation Hyd -6.252 Disulfide 0.000
VdW clashes 3.045 Electrost. Kon -0.426
Entropy sc 1.241 Part.cov.bonds 0.000
Entropy mc

2.216

 ΔGstability

27.906
       

Predicted ligand sequences for model [YSC84_1CSK-27.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_1CSK-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRARPPRW 0.0
2 RFRARPPRK 0.02
3 RFRARPWRW 0.03
4 RRRARPPRW 0.04
5 RFRARPPRH 0.04
6 RFRARPWRK 0.05
7 RFRARPWRH 0.06
8 RRRARPWRW 0.07
9 RRRARPPRK 0.07
10 RRRARPPRH 0.08
11 RRRARPWRK 0.09
12 RFRARLPRW 0.1
13 RRRARPWRH 0.1
14 RFRARLWRW 0.12
15 RFRARLPRK 0.12
16 RFRARPFRW 0.12
17 RFRARLPRH 0.13
18 RRRARLPRW 0.14
19 RFRARLWRK 0.15
20 RFRARPFRK 0.15
21 RFRARLWRH 0.16
22 RFRARPFRH 0.16
23 RRRARLPRK 0.17
24 RRRARLWRW 0.17
25 RFRARRPRW 0.17
26 RRRARPFRW 0.17
27 RRRARLPRH 0.18
28 RRRARLWRK 0.19
29 RFRARRPRK 0.19
30 RFRARRWRW 0.19
31 RRRARPFRK 0.19
32 RFRARRPRH 0.2
33 RRRARLWRH 0.2
34 RRRARPFRH 0.2
35 RFRARRWRK 0.21
36 RRRARRPRW 0.21
37 RFRARLFRW 0.22
38 RFRARRWRH 0.23
39 RRRARRPRK 0.23
40 RFRARLFRK 0.24
41 RRRARRWRW 0.24
42 RRRARRPRH 0.25
43 RRRARRWRK 0.26
44 RFRARLFRH 0.26
45 RRRARRWRH 0.27
46 RRRARLFRW 0.27
47 RRRARLFRK 0.29
48 RFKARPPRW 0.29
49 RFRARRFRW 0.29
50 RRRARLFRH 0.3
51 RKRARPPRW 0.3
52 RFRARRFRK 0.31
53 RFKARPWRW 0.32
54 RFKARPPRK 0.32
55 RKRARPPRK 0.32
56 RFKARPPRH 0.33
57 RKRARPWRW 0.33
58 RFRARRFRH 0.33
59 RRRARRFRW 0.34
60 RFKARPWRK 0.34
61 RKRARPPRH 0.34
62 RRKARPPRW 0.34
63 RFKARPWRH 0.35
64 RKRARPWRK 0.35
65 RRRARRFRK 0.36
66 RRKARPWRW 0.36
67 RKRARPWRH 0.36
68 RRKARPPRK 0.36
69 RRRARRFRH 0.37
70 RRKARPPRH 0.37
71 RRKARPWRK 0.39
72 RFKARLPRW 0.39
73 RRKARPWRH 0.4
74 RKRARLPRW 0.4
75 RFRAIPPRW 0.41
76 RKRARLWRW 0.42
77 RFKARPFRW 0.42
78 RKRARPFRW 0.42
79 RFKARLWRW 0.42
80 RFKARLPRK 0.42
81 RKRARLPRK 0.42
82 RFKARLPRH 0.43
83 RKRARLPRH 0.43
84 RRKARLPRW 0.44
85 RFRAIPPRK 0.44
86 RFRAIPWRW 0.44
87 RFKARPFRK 0.44
88 RFKARLWRK 0.44
89 RKRARLWRK 0.45
90 RFRAIPPRH 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRARLPRH

4.18

-10.46

-6.28
2 RFRARPPRW

3.95

-10.12

-6.17
3 RRRARLWRK

5.26

-11.22

-5.96
4 RFRARRPRK

3.48

-9.42

-5.94
5 RFRARLPRK

4.09

-9.59

-5.5
6 RRRARPPRK

4.17

-9.45

-5.28
7 RRRARPPRW

4.13

-9.23

-5.1
8 RRRARLPRW

4.5

-9.54

-5.04
9 RRRARPWRH

5.49

-10.0

-4.51
10 RRRARPPRH

3.87

-8.37

-4.5
11 RRRARLPRK

3.59

-8.0

-4.41
12 RFRARLWRH

4.27

-8.49

-4.22
13 RRRARLWRW

4.77

-8.79

-4.02
14 RFRARPPRK

4.09

-7.97

-3.88
15 RFRARRPRW

3.06

-6.87

-3.81
16 RRRARPFRW

5.34

-9.06

-3.72
17 RFRARRWRW

4.31

-8.02

-3.71
18 RFRARLWRK

4.33

-8.03

-3.7
19 RFRARPPRH

3.93

-7.62

-3.69
20 RFRARLPRW

4.88

-8.48

-3.6
21 RRRARPWRW

4.32

-7.77

-3.45
22 RFRARLPRH

4.53

-7.94

-3.41
23 RFRARPWRH

3.99

-7.24

-3.25
24 RFRARPFRH

4.59

-7.8

-3.21
25 RFRARPWRW

4.8

-7.84

-3.04
26 RFRARPFRW

4.85

-7.43

-2.58
27 RFRARPFRK

4.85

-7.26

-2.41
28 RFRARPWRK

5.01

-7.04

-2.03
29 RRRARPWRK

5.38

-6.92

-1.54
30 RFRARLWRW

5.83

-7.24

-1.41

 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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