Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-20.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
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    

(Help)

Intraclash 2.607 ΔGbinding 1.911
TOTAL
 4.518
Backbone Hb -1.875 Cis_bond 0.000
Sidechain Hb -1.875 Torsional clash 0.093
Van der Waals -5.846 Backbone clash 0.165
Electrostatics 0.480 Helix dipole 0.000
Solvation Polar 7.446 Water bridges -0.003
Solvation Hyd -7.865 Disulfide 0.000
VdW clashes 4.588 Electrost. Kon 0.466
Entropy sc 1.315 Part.cov.bonds 0.000
Entropy mc

4.988

 ΔGstability

31.834
       

Predicted ligand sequences for model [YSC84_1CSK-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPRFHGHHR 0.0
2 YPKFHGHHR 0.03
3 FPRFHGHHR 0.07
4 YPRFHGMHR 0.08
5 YPFFHGHHR 0.1
6 FPKFHGHHR 0.1
7 YPKFHGMHR 0.11
8 YPHFHGHHR 0.14
9 YPWFHGHHR 0.15
10 FPRFHGMHR 0.16
11 FPFFHGHHR 0.17
12 YPFFHGMHR 0.18
13 FPKFHGMHR 0.18
14 FPHFHGHHR 0.21
15 FPWFHGHHR 0.22
16 YPHFHGMHR 0.22
17 YPWFHGMHR 0.23
18 FPFFHGMHR 0.25
19 FPWFHGMHR 0.3
20 FPHFHGMHR 0.3
21 YPRKHGHHR 0.32
22 YPRFHGRHR 0.32
23 YPKKHGHHR 0.35
24 YPKFHGRHR 0.35
25 FPRFHGRHR 0.39
26 FPRKHGHHR 0.39
27 YPRKHGMHR 0.4
28 YPRMHGHHR 0.41
29 YPFKHGHHR 0.41
30 YPFFHGRHR 0.41
31 FPKFHGRHR 0.42
32 FPKKHGHHR 0.42
33 YPKKHGMHR 0.43
34 YPKMHGHHR 0.44
35 YPWKHGHHR 0.46
36 YPHFHGRHR 0.46
37 YPWFHGRHR 0.46
38 YPHKHGHHR 0.46
39 FPRKHGMHR 0.47
40 FPFFHGRHR 0.48
41 FPRMHGHHR 0.48
42 FPFKHGHHR 0.48
43 YPRMHGMHR 0.49
44 FPKKHGMHR 0.5
45 YPFMHGHHR 0.5
46 YPFKHGMHR 0.5
47 FPKMHGHHR 0.51
48 YPKMHGMHR 0.52
49 FPHFHGRHR 0.53
50 FPHKHGHHR 0.53
51 FPWKHGHHR 0.54
52 YPHKHGMHR 0.54
53 FPWFHGRHR 0.54
54 YPWKHGMHR 0.55
55 YPHMHGHHR 0.55
56 YPWMHGHHR 0.56
57 FPRMHGMHR 0.56
58 FPFKHGMHR 0.57
59 FPFMHGHHR 0.58
60 FPKMHGMHR 0.59
61 YPFMHGMHR 0.59
62 FPHKHGMHR 0.61
63 FPHMHGHHR 0.62
64 FPWKHGMHR 0.62
65 YPHMHGMHR 0.63
66 YPRKHGRHR 0.63
67 FPWMHGHHR 0.63
68 YPWMHGMHR 0.64
69 YPKKHGRHR 0.66
70 FPFMHGMHR 0.66
71 FPHMHGMHR 0.7
72 FPWMHGMHR 0.71
73 FPRKHGRHR 0.71
74 YPRMHGRHR 0.72
75 YPFKHGRHR 0.73
76 FPKKHGRHR 0.74
77 YPKMHGRHR 0.75
78 YPHKHGRHR 0.77
79 YPWKHGRHR 0.78
80 FPRMHGRHR 0.8
81 FPFKHGRHR 0.8
82 YPFMHGRHR 0.82
83 FPKMHGRHR 0.83
84 FPHKHGRHR 0.85
85 FPWKHGRHR 0.85
86 YPHMHGRHR 0.86
87 YPWMHGRHR 0.87
88 FPFMHGRHR 0.89
89 FPHMHGRHR 0.94
90 FPWMHGRHR 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPRFHGHHR

3.59

-11.47

-7.88
2 YPRMHGHHR

2.52

-10.16

-7.64
3 YPRKHGHHR

2.82

-10.42

-7.6
4 YPRKHGMHR

2.72

-10.26

-7.54
5 FPRKHGHHR

2.65

-10.0

-7.35
6 YPFKHGHHR

2.76

-9.79

-7.03
7 FPFFHGMHR

3.33

-10.26

-6.93
8 YPRFHGMHR

3.45

-10.33

-6.88
9 YPWFHGHHR

2.88

-9.75

-6.87
10 YPFFHGRHR

3.34

-10.01

-6.67
11 YPHFHGMHR

3.34

-9.83

-6.49
12 FPRFHGRHR

3.3

-9.62

-6.32
13 YPWFHGMHR

3.7

-9.89

-6.19
14 YPKFHGRHR

3.46

-9.57

-6.11
15 FPHFHGHHR

3.15

-9.26

-6.11
16 FPRFHGMHR

3.45

-9.49

-6.04
17 YPFFHGHHR

3.69

-9.55

-5.86
18 YPHFHGHHR

4.15

-9.92

-5.77
19 YPFFHGMHR

3.8

-9.42

-5.62
20 YPKKHGHHR

2.64

-8.21

-5.57
21 YPKFHGHHR

2.74

-8.24

-5.5
22 FPKFHGHHR

2.93

-7.98

-5.05
23 YPKFHGMHR

4.67

-9.71

-5.04
24 FPKFHGMHR

4.84

-9.62

-4.78
25 YPRFHGRHR

4.98

-9.43

-4.45
26 YPRFHGHHR

4.08

-8.46

-4.38
27 FPWFHGMHR

4.88

-9.18

-4.3
28 FPWFHGHHR

6.0

-10.02

-4.02
29 FPHFHGMHR

5.29

-9.26

-3.97
30 FPFFHGHHR

5.33

-8.2

-2.87

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER