Predicted ligand sequences


ADAN-name: 2C742.PDB (view again the scoring matrix)

PDB name: [2C74.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q R s A P
position 1 2 3 4 5
poly-Ala 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 3.313 ΔGbinding -10.310
TOTAL
 -6.997
Backbone Hb -2.280 Cis_bond 0.000
Sidechain Hb -8.110 Torsional clash 0.030
Van der Waals -5.720 Backbone clash 0.200
Electrostatics -3.460 Helix dipole -0.050
Solvation Polar 12.030 Water bridges -0.940
Solvation Hyd -6.220 Disulfide 0.000
VdW clashes 0.250 Electrost. Kon -2.290
Entropy sc 5.700 Part.cov.bonds 0.000
Entropy mc

0.770

 ΔGstability

-55.690
       

Predicted ligand sequences for template [2C742.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).
 
  2C742.PDB  

(data)
# Predicted Sequences Value Calculate
1 MMEFP 0.0
2 MMEFM 0.0
3 MMEFF 0.06
4 MMEFK 0.06
5 FMEFM 0.08
6 FMEFP 0.08
7 WMEFP 0.13
8 WMEFM 0.13
9 FMEFK 0.14
10 FMEFF 0.14
11 WMEFF 0.18
12 WMEFK 0.19
13 HMEFP 0.28
14 HMEFM 0.28
15 MMsFM 0.31
16 MMsFP 0.32
17 HMEFK 0.34
18 HMEFF 0.34
19 MLEFP 0.35
20 MLEFM 0.35
21 MMsFF 0.37
22 MMsFK 0.37
23 FMsFM 0.39
24 FMsFP 0.39
25 MLEFK 0.4
26 MLEFF 0.4
27 FLEFM 0.42
28 FLEFP 0.43
29 MsEFM 0.44
30 MsEFP 0.44
31 WMsFP 0.44
32 MFEFP 0.44
33 MFEFM 0.44
34 WMsFM 0.44
35 FMsFF 0.45
36 FMsFK 0.45
37 WLEFP 0.47
38 WLEFM 0.47
39 FLEFK 0.48
40 FLEFF 0.48
41 MsEFF 0.49
42 MsEFK 0.49
43 MFEFF 0.49
44 MFEFK 0.5
45 WMsFF 0.5
46 WMsFK 0.5
47 FsEFP 0.52
48 FsEFM 0.52
49 FFEFM 0.52
50 FFEFP 0.52
51 WLEFF 0.53
52 WLEFK 0.53
53 WsEFM 0.56
54 WsEFP 0.57
55 FsEFK 0.57
56 FsEFF 0.57
57 FFEFF 0.57
58 WFEFM 0.57
59 WFEFP 0.57
60 FFEFK 0.58
61 HMsFM 0.59
62 HMsFP 0.6
63 WsEFK 0.62
64 WsEFF 0.62
65 WFEFF 0.62
66 WFEFK 0.62
67 HLEFM 0.63
68 HLEFP 0.63
69 HMsFF 0.65
70 HMsFK 0.65
71 MLsFP 0.66
72 MLsFM 0.66
73 HLEFK 0.68
74 HLEFF 0.68
75 MLsFF 0.72
76 MLsFK 0.72
77 HFEFP 0.72
78 HsEFP 0.72
79 HsEFM 0.72
80 HFEFM 0.72
81 FLsFP 0.74
82 FLsFM 0.74
83 MssFM 0.75
84 MssFP 0.75
85 MFsFM 0.75
86 MFsFP 0.75
87 HsEFF 0.77
88 HsEFK 0.78
89 HFEFF 0.78
90 HFEFK 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMEFM

2.88

-13.43

-10.55
2 FMsFM

2.59

-13.03

-10.44
3 HMEFF

2.75

-12.94

-10.19
4 MMsFP

2.57

-12.69

-10.12
5 HMEFP

2.69

-12.74

-10.05
6 MMsFM

2.76

-12.67

-9.91
7 MLEFP

2.85

-12.7

-9.85
8 MMEFK

2.5

-12.3

-9.8
9 WMEFP

2.54

-12.29

-9.75
10 MMEFM

2.57

-12.29

-9.72
11 MsEFP

2.61

-12.31

-9.7
12 FMEFF

2.46

-12.12

-9.66
13 FMEFK

2.68

-12.19

-9.51
14 MMsFK

2.66

-12.14

-9.48
15 FMsFP

2.92

-12.35

-9.43
16 MMEFP

2.95

-12.31

-9.36
17 WMEFK

2.99

-12.3

-9.31
18 HMEFM

2.9

-12.13

-9.23
19 FLEFP

2.85

-12.0

-9.15
20 HMEFK

3.23

-12.34

-9.11
21 MMEFF

2.52

-11.61

-9.09
22 FMEFP

3.17

-12.23

-9.06
23 MsEFM

2.67

-11.62

-8.95
24 MLEFF

2.48

-11.42

-8.94
25 FMEFM

2.69

-11.57

-8.88
26 MLEFM

2.62

-11.39

-8.77
27 MMsFF

2.68

-11.3

-8.62
28 FLEFM

2.57

-11.06

-8.49
29 MLEFK

2.78

-10.75

-7.97
30 WMEFF

3.41

-11.25

-7.84

 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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