Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.092 ΔGbinding -1.402
TOTAL
 -0.310
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.306
Van der Waals -2.637 Backbone clash 0.000
Electrostatics -0.165 Helix dipole 0.000
Solvation Polar 3.100 Water bridges -0.059
Solvation Hyd -3.608 Disulfide 0.000
VdW clashes 0.880 Electrost. Kon -0.220
Entropy sc 0.585 Part.cov.bonds 0.000
Entropy mc

1.690

 ΔGstability

24.171
       

Predicted ligand sequences for model [YSC84_1CSK-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRKRRMK 0.0
2 YRKRRWK 0.11
3 YRKRRHK 0.12
4 YRRRRMK 0.18
5 YRKRPMK 0.23
6 YKKRRMK 0.24
7 YPKRRMK 0.28
8 YRRRRHK 0.3
9 YRRRRWK 0.3
10 YRKRKMK 0.33
11 YRKRPWK 0.34
12 YRKRPHK 0.35
13 YKKRRWK 0.36
14 YKKRRHK 0.37
15 YPKRRWK 0.39
16 YPKRRHK 0.4
17 YRRRPMK 0.41
18 YKRRRMK 0.43
19 YRKRRMM 0.44
20 YRKRKWK 0.44
21 YRKRKHK 0.45
22 YPRRRMK 0.46
23 YKKRPMK 0.47
24 YPKRPMK 0.51
25 YRRRKMK 0.51
26 YRRRPWK 0.53
27 YRRRPHK 0.53
28 YKRRRWK 0.54
29 YKRRRHK 0.55
30 YRKRRWM 0.56
31 YRKRRHM 0.56
32 YKKRKMK 0.57
33 YPRRRWK 0.58
34 YPRRRHK 0.58
35 YKKRPWK 0.59
36 YKKRPHK 0.59
37 YPKRKMK 0.6
38 YRRRKWK 0.62
39 YPKRPWK 0.62
40 YRRRKHK 0.63
41 YRRRRMM 0.63
42 YPKRPHK 0.63
43 YKRRPMK 0.66
44 YRKRPMM 0.67
45 YPRRPMK 0.69
46 YKKRKHK 0.69
47 YKKRKWK 0.69
48 YKKRRMM 0.69
49 YPKRRMM 0.72
50 YPKRKWK 0.72
51 YPKRKHK 0.73
52 YRRRRWM 0.74
53 YRRRRHM 0.75
54 YKRRKMK 0.76
55 YRKRKMM 0.77
56 YKRRPWK 0.77
57 YKRRPHK 0.78
58 YRKRPHM 0.79
59 YRKRPWM 0.79
60 YPRRKMK 0.79
61 YKKRRWM 0.8
62 YPRRPWK 0.8
63 YPRRPHK 0.81
64 YKKRRHM 0.81
65 YPKRRHM 0.84
66 YPKRRWM 0.84
67 YRRRPMM 0.86
68 YKRRKWK 0.87
69 YKRRRMM 0.87
70 YKRRKHK 0.88
71 YRKRKHM 0.89
72 YRKRKWM 0.89
73 YPRRKWK 0.9
74 YPRRRMM 0.91
75 YPRRKHK 0.91
76 YKKRPMM 0.92
77 YPKRPMM 0.95
78 YRRRKMM 0.95
79 YRRRPWM 0.97
80 YRRRPHM 0.98
81 YKRRRHM 0.99
82 YKRRRWM 0.99
83 YPRRRWM 1.02
84 YKKRKMM 1.02
85 YPRRRHM 1.03
86 YKKRPWM 1.03
87 YKKRPHM 1.04
88 YPKRKMM 1.05
89 YPKRPWM 1.06
90 YRRRKWM 1.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRRRMK

2.33

-10.7

-8.37
2 YRRRRMK

2.7

-9.57

-6.87
3 YRRRPMK

2.12

-8.88

-6.76
4 YKRRRWK

1.95

-8.59

-6.64
5 YKRRRMK

2.9

-8.86

-5.96
6 YRRRKMK

2.83

-8.68

-5.85
7 YRKRRMM

2.9

-8.72

-5.82
8 YRKRKWK

2.62

-8.34

-5.72
9 YKKRRWK

2.69

-8.25

-5.56
10 YRRRPHK

2.64

-8.13

-5.49
11 YRKRRWK

2.77

-8.25

-5.48
12 YRKRRMK

3.0

-8.26

-5.26
13 YRKRRWM

3.18

-8.41

-5.23
14 YPKRPMK

2.47

-7.65

-5.18
15 YPKRRMK

3.07

-8.23

-5.16
16 YPKRRWK

2.37

-7.43

-5.06
17 YRKRPWK

2.45

-7.38

-4.93
18 YRKRKHK

2.72

-7.59

-4.87
19 YRKRRHK

3.09

-7.68

-4.59
20 YRRRRHK

3.39

-7.68

-4.29
21 YKRRRHK

3.62

-7.73

-4.11
22 YRRRPWK

3.06

-7.14

-4.08
23 YRRRRWK

2.39

-6.41

-4.02
24 YRKRPMK

3.22

-7.11

-3.89
25 YRKRPHK

2.64

-6.5

-3.86
26 YKKRRHK

2.9

-6.63

-3.73
27 YRKRKMK

2.8

-6.43

-3.63
28 YKKRRMK

3.24

-6.86

-3.62
29 YPKRRHK

2.01

-5.49

-3.48
30 YKKRPMK

3.1

-6.51

-3.41

 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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