Predicted ligand sequences


ADAN-name: 1CSZ2.PDB (view again the scoring matrix)

PDB name: [1CSZ.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 26.138 ΔGbinding 4.980
TOTAL
 31.118
Backbone Hb -0.130 Cis_bond 0.000
Sidechain Hb -1.100 Torsional clash 0.520
Van der Waals -9.140 Backbone clash 6.480
Electrostatics -1.770 Helix dipole 0.000
Solvation Polar 14.030 Water bridges -0.780
Solvation Hyd -11.550 Disulfide 0.000
VdW clashes 6.430 Electrost. Kon -1.400
Entropy sc 3.590 Part.cov.bonds 0.000
Entropy mc

6.300

 ΔGstability

311.280
       

Predicted ligand sequences for template [1CSZ2.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).
 
  1CSZ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 sMARG 0.0
2 sSARG 0.0
3 PMARG 0.1
4 PSARG 0.1
5 sTARG 0.11
6 sSAGG 0.13
7 sMAGG 0.13
8 yMARG 0.14
9 ySARG 0.14
10 GSARG 0.21
11 GMARG 0.21
12 PTARG 0.22
13 PMAGG 0.23
14 PSAGG 0.24
15 yTARG 0.25
16 sTAGG 0.25
17 ySAGG 0.27
18 sNARG 0.27
19 yMAGG 0.27
20 sSMRG 0.31
21 sMMRG 0.31
22 sMAAG 0.32
23 GTARG 0.32
24 sSAAG 0.32
25 sSAMG 0.34
26 GMAGG 0.34
27 sMAMG 0.34
28 GSAGG 0.34
29 PTAGG 0.35
30 PNARG 0.37
31 yTAGG 0.39
32 sSGRG 0.4
33 sMGRG 0.4
34 sNAGG 0.4
35 PMMRG 0.41
36 PSMRG 0.41
37 yNARG 0.41
38 PMAAG 0.42
39 sTMRG 0.42
40 PSAAG 0.43
41 PMAMG 0.44
42 sTAAG 0.44
43 PSAMG 0.44
44 sMMGG 0.44
45 sSMGG 0.44
46 GTAGG 0.45
47 sMERG 0.45
48 sSERG 0.45
49 ySMRG 0.45
50 yMMRG 0.45
51 sTAMG 0.45
52 ySAAG 0.46
53 yMAAG 0.46
54 GNARG 0.47
55 ySAMG 0.48
56 yMAMG 0.48
57 PSGRG 0.5
58 PNAGG 0.5
59 PMGRG 0.5
60 sTGRG 0.51
61 GSMRG 0.52
62 GMMRG 0.52
63 GSAAG 0.53
64 sSGGG 0.53
65 sMGGG 0.53
66 GMAAG 0.53
67 PTMRG 0.53
68 yMGRG 0.54
69 yNAGG 0.54
70 PTAAG 0.54
71 ySGRG 0.54
72 PSERG 0.55
73 GSAMG 0.55
74 GMAMG 0.55
75 PSMGG 0.55
76 PMMGG 0.55
77 PMERG 0.55
78 PTAMG 0.55
79 yTMRG 0.56
80 sTMGG 0.56
81 sTERG 0.56
82 yTAAG 0.58
83 sNMRG 0.58
84 yMMGG 0.58
85 sSEGG 0.58
86 sMEGG 0.58
87 ySMGG 0.58
88 sNAAG 0.59
89 ySERG 0.59
90 yMERG 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sSMRG

9.38

1.67

11.05
2 sMMRG

9.4

1.79

11.19
3 sSARG

9.38

2.29

11.67
4 PSARG

9.09

2.6

11.69
5 PSAGG

8.85

2.99

11.84
6 PNARG

9.45

2.47

11.92
7 sSAMG

9.27

2.76

12.03
8 ySARG

9.51

2.52

12.03
9 yMARG

10.32

1.79

12.11
10 PTARG

9.41

2.75

12.16
11 sSAAG

9.15

3.02

12.17
12 sNARG

9.39

2.86

12.25
13 sMAMG

9.65

2.67

12.32
14 sMAGG

9.39

2.93

12.32
15 PMARG

9.48

2.87

12.35
16 PMAGG

9.29

3.14

12.43
17 sMARG

9.82

2.66

12.48
18 yTARG

9.84

2.65

12.49
19 PTAGG

9.1

3.39

12.49
20 yMAGG

9.48

3.04

12.52
21 GSARG

9.76

2.91

12.67
22 sMAAG

9.94

3.17

13.11
23 ySAGG

10.37

2.97

13.34
24 sTAGG

10.21

3.48

13.69
25 sSAGG

10.17

3.54

13.71
26 GSAGG

9.78

4.1

13.88
27 GMARG

10.5

3.57

14.07
28 GTARG

10.7

3.59

14.29
29 GMAGG

10.51

4.01

14.52
30 sTARG

12.68

3.69

16.37

 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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