Predicted ligand sequences


ADAN-name: 1HCS2.PDB (view again the scoring matrix)

PDB name: [1HCS.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT y E E I E
position 1 2 3 4 5
poly-Ala
y
 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 11.137 ΔGbinding -5.280
TOTAL
 5.857
Backbone Hb -1.630 Cis_bond 0.000
Sidechain Hb -2.400 Torsional clash 0.870
Van der Waals -8.070 Backbone clash 0.400
Electrostatics -3.060 Helix dipole -0.120
Solvation Polar 11.160 Water bridges -1.500
Solvation Hyd -10.200 Disulfide 0.000
VdW clashes 2.210 Electrost. Kon -2.260
Entropy sc 4.820 Part.cov.bonds 0.000
Entropy mc

4.900

 ΔGstability

118.610
       

Predicted ligand sequences for template [1HCS2.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).
 
  1HCS2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DECIy 0.0
2 EECIy 0.03
3 DELIy 0.05
4 DMCIy 0.06
5 EELIy 0.08
6 EMCIy 0.09
7 DMLIy 0.11
8 EMLIy 0.14
9 DEDIy 0.19
10 EEDIy 0.22
11 DMDIy 0.25
12 EMDIy 0.28
13 DECLy 0.28
14 DECIG 0.3
15 DECIA 0.3
16 EECLy 0.31
17 DELLy 0.33
18 EECIG 0.33
19 EECIA 0.33
20 DMCLy 0.34
21 DELIA 0.34
22 DELIG 0.34
23 EELLy 0.36
24 DMCIG 0.36
25 DMCIA 0.36
26 EMCLy 0.37
27 EELIA 0.37
28 EELIG 0.37
29 DLCIy 0.38
30 EMCIG 0.39
31 EMCIA 0.39
32 DMLLy 0.39
33 DMLIG 0.41
34 ELCIy 0.41
35 DMLIA 0.41
36 EMLLy 0.42
37 DLLIy 0.42
38 DECMy 0.43
39 EMLIA 0.44
40 EMLIG 0.44
41 ELLIy 0.45
42 EECMy 0.46
43 DEDLy 0.47
44 DELMy 0.47
45 DEDIA 0.49
46 DEDIG 0.49
47 DMCMy 0.49
48 EEDLy 0.5
49 EELMy 0.51
50 EMCMy 0.52
51 EEDIA 0.52
52 EEDIG 0.52
53 DMLMy 0.54
54 DMDLy 0.54
55 DMDIG 0.55
56 DMDIA 0.55
57 DLDIy 0.57
58 EMDLy 0.57
59 EMLMy 0.57
60 EMDIA 0.58
61 EMDIG 0.58
62 DECLA 0.58
63 DECLG 0.58
64 ELDIy 0.6
65 EECLG 0.61
66 EECLA 0.61
67 DEDMy 0.62
68 DELLG 0.63
69 DELLA 0.63
70 DMCLA 0.64
71 DMCLG 0.64
72 EEDMy 0.65
73 DLCLy 0.66
74 EELLA 0.66
75 EELLG 0.66
76 EMCLG 0.67
77 EMCLA 0.67
78 DLCIG 0.67
79 DLCIA 0.67
80 DMDMy 0.68
81 ELCLy 0.69
82 DMLLG 0.69
83 DMLLA 0.69
84 ELCIA 0.7
85 ELCIG 0.7
86 DLLLy 0.7
87 EMDMy 0.71
88 EMLLG 0.72
89 DLLIA 0.72
90 DLLIG 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EMDIy

4.76

-5.77

-1.01
2 DECIy

4.77

-5.55

-0.78
3 DECIG

5.01

-5.75

-0.74
4 EELIG

5.02

-5.75

-0.73
5 DELIG

4.85

-5.57

-0.72
6 DMCIy

5.07

-5.7

-0.63
7 DELIA

4.75

-5.34

-0.59
8 DMCIG

4.91

-5.47

-0.56
9 DEDIy

4.99

-5.4

-0.41
10 EMCIy

4.93

-5.24

-0.31
11 DMDIy

4.93

-5.23

-0.3
12 DELLy

5.44

-5.74

-0.3
13 DLCIy

4.83

-5.11

-0.28
14 EECIA

4.78

-5.05

-0.27
15 EELLy

5.04

-5.3

-0.26
16 EECIG

4.41

-4.58

-0.17
17 DELIy

4.91

-5.06

-0.15
18 EELIy

4.44

-4.53

-0.09
19 DMCIA

5.32

-5.25

0.07
20 DMCLy

5.59

-5.5

0.09
21 EECLy

4.67

-4.57

0.1
22 EECIy

4.43

-4.3

0.13
23 EMLIy

4.94

-4.6

0.34
24 DECIA

4.34

-3.79

0.55
25 DMLIy

5.18

-4.55

0.63
26 EELIA

5.55

-4.87

0.68
27 EMCLy

5.22

-4.51

0.71
28 EEDIy

6.3

-5.3

1.0
29 DECLy

6.3

-5.29

1.01
30 EMCIG

5.59

-4.1

1.49

 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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