Predicted ligand sequences


ADAN-name: 1CSY2.PDB (view again the scoring matrix)

PDB name: [1CSY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T y E T L
position 1 2 3 4 5
poly-Ala A y
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 21.261 ΔGbinding 3.000
TOTAL
 24.261
Backbone Hb -1.450 Cis_bond 0.000
Sidechain Hb -3.950 Torsional clash 1.000
Van der Waals -9.900 Backbone clash 6.980
Electrostatics -1.910 Helix dipole 0.000
Solvation Polar 15.850 Water bridges -1.050
Solvation Hyd -12.160 Disulfide 0.000
VdW clashes 7.070 Electrost. Kon -1.380
Entropy sc 5.180 Part.cov.bonds 0.000
Entropy mc

5.700

 ΔGstability

305.200
       

Predicted ligand sequences for template [1CSY2.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).
 
  1CSY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GMGGA 0.0
2 GMGyA 0.01
3 sMGGA 0.01
4 sMGyA 0.02
5 DMGGA 0.05
6 DMGyA 0.06
7 GMGKA 0.13
8 sMGKA 0.14
9 PMGGA 0.16
10 PMGyA 0.17
11 GSGGA 0.17
12 DMGKA 0.18
13 sSGGA 0.18
14 GSGyA 0.18
15 sSGyA 0.19
16 GMGGC 0.19
17 GMGyC 0.2
18 sMGGC 0.2
19 sMGyC 0.21
20 DSGGA 0.22
21 DSGyA 0.23
22 GsGGA 0.23
23 DMGGC 0.23
24 DMGyC 0.24
25 ssGGA 0.24
26 GsGyA 0.24
27 ssGyA 0.25
28 DsGGA 0.27
29 DsGyA 0.28
30 PMGKA 0.29
31 GMGHA 0.3
32 GSGKA 0.3
33 sSGKA 0.31
34 sMGHA 0.31
35 GMGKC 0.32
36 sMGKC 0.33
37 PSGGA 0.33
38 PSGyA 0.34
39 PMGGC 0.35
40 DMGHA 0.35
41 DSGKA 0.35
42 DMGKC 0.36
43 PMGyC 0.36
44 GSGyC 0.36
45 GsGKA 0.36
46 GSGGC 0.36
47 sSGGC 0.37
48 ssGKA 0.37
49 GDGGA 0.38
50 sSGyC 0.38
51 GDGyA 0.39
52 PsGGA 0.39
53 sDGGA 0.39
54 DSGGC 0.4
55 PsGyA 0.4
56 sDGyA 0.4
57 DSGyC 0.41
58 GsGGC 0.41
59 DsGKA 0.41
60 GMGGP 0.42
61 ssGGC 0.42
62 GsGyC 0.42
63 GMGyP 0.43
64 DDGGA 0.43
65 sMGGP 0.43
66 ssGyC 0.43
67 DDGyA 0.44
68 sMGyP 0.44
69 PSGKA 0.46
70 DsGGC 0.46
71 PMGHA 0.46
72 DsGyC 0.47
73 DMGGP 0.47
74 GSGHA 0.47
75 PMGKC 0.48
76 DMGyP 0.48
77 sSGHA 0.48
78 GMGHC 0.49
79 GSGKC 0.49
80 sSGKC 0.5
81 sMGHC 0.5
82 GDGKA 0.51
83 PSGGC 0.52
84 sDGKA 0.52
85 DSGHA 0.52
86 PsGKA 0.52
87 GsGHA 0.53
88 DMGHC 0.53
89 PSGyC 0.53
90 DSGKC 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sSGyA

12.81

2.53

15.34
2 sMGyA

12.81

2.9

15.71
3 sMGKA

13.48

2.36

15.84
4 sSGGA

13.4

2.54

15.94
5 DMGKA

12.81

3.17

15.98
6 DSGGA

12.76

3.22

15.98
7 DMGyA

12.72

3.31

16.03
8 DSGyA

12.76

3.38

16.14
9 DMGyC

12.82

3.32

16.14
10 sMGGC

13.42

2.81

16.23
11 ssGGA

13.18

3.11

16.29
12 PMGKA

13.22

3.07

16.29
13 DsGyA

13.06

3.35

16.41
14 GSGyA

12.76

3.72

16.48
15 DsGGA

13.06

3.43

16.49
16 GMGyA

13.21

3.34

16.55
17 sMGGA

14.95

1.67

16.62
18 GSGGA

12.6

4.02

16.62
19 ssGyA

13.56

3.06

16.62
20 GsGyA

12.83

3.94

16.77
21 sMGyC

15.2

1.7

16.9
22 DMGGA

14.05

3.14

17.19
23 GMGGA

13.93

3.42

17.35
24 DMGGC

14.56

2.8

17.36
25 GMGKA

14.48

3.05

17.53
26 PMGyA

15.11

2.46

17.57
27 GMGyC

14.49

3.12

17.61
28 GsGGA

13.24

4.39

17.63
29 PMGGA

15.02

2.65

17.67
30 GMGGC

14.53

3.43

17.96

 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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