Predicted ligand sequences


ADAN-name: 1W9Q2.PDB (view again the scoring matrix)

PDB name: [1W9Q.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N E F A F
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    

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Intraclash 1.041 ΔGbinding -9.980
TOTAL
 -8.939
Backbone Hb -7.990 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.060
Van der Waals -8.060 Backbone clash 2.340
Electrostatics -0.530 Helix dipole -0.040
Solvation Polar 11.830 Water bridges -0.310
Solvation Hyd -10.900 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon -0.360
Entropy sc 2.430 Part.cov.bonds 0.000
Entropy mc

3.690

 ΔGstability

-4.830
       

Predicted ligand sequences for template [1W9Q2.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).
 
  1W9Q2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMMMF 0.0
2 WLMMF 0.18
3 RMMMF 0.27
4 WRMMF 0.31
5 WWMMF 0.41
6 RLMMF 0.45
7 WKMMF 0.48
8 WMFMF 0.49
9 FMMMF 0.51
10 HMMMF 0.51
11 YMMMF 0.51
12 RRMMF 0.58
13 WMWMF 0.65
14 WLFMF 0.67
15 RWMMF 0.68
16 YLMMF 0.69
17 FLMMF 0.69
18 HLMMF 0.69
19 RKMMF 0.75
20 WMLMF 0.76
21 RMFMF 0.76
22 WRFMF 0.8
23 HRMMF 0.81
24 YRMMF 0.81
25 FRMMF 0.82
26 WLWMF 0.83
27 WWFMF 0.9
28 HWMMF 0.91
29 FWMMF 0.92
30 YWMMF 0.92
31 RMWMF 0.92
32 WLLMF 0.94
33 RLFMF 0.94
34 WRWMF 0.96
35 WKFMF 0.97
36 YKMMF 0.99
37 FKMMF 0.99
38 HKMMF 0.99
39 YMFMF 1.0
40 FMFMF 1.0
41 HMFMF 1.0
42 RMLMF 1.03
43 WRLMF 1.06
44 WWWMF 1.06
45 RRFMF 1.07
46 RLWMF 1.1
47 WKWMF 1.13
48 HMWMF 1.16
49 FMWMF 1.16
50 YMWMF 1.16
51 WWLMF 1.17
52 RWFMF 1.17
53 FLFMF 1.18
54 YLFMF 1.18
55 HLFMF 1.18
56 RLLMF 1.21
57 RRWMF 1.23
58 WKLMF 1.24
59 RKFMF 1.24
60 YMLMF 1.27
61 FMLMF 1.27
62 HMLMF 1.27
63 YRFMF 1.3
64 HRFMF 1.3
65 FRFMF 1.31
66 RWWMF 1.33
67 HLWMF 1.34
68 FLWMF 1.34
69 RRLMF 1.34
70 YLWMF 1.34
71 RKWMF 1.4
72 HWFMF 1.4
73 YWFMF 1.41
74 FWFMF 1.41
75 RWLMF 1.44
76 HLLMF 1.44
77 FLLMF 1.45
78 YLLMF 1.45
79 YRWMF 1.46
80 HRWMF 1.46
81 FRWMF 1.47
82 HKFMF 1.48
83 YKFMF 1.48
84 FKFMF 1.48
85 RKLMF 1.51
86 HWWMF 1.56
87 FWWMF 1.57
88 YWWMF 1.57
89 HRLMF 1.57
90 YRLMF 1.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWMMF

5.2

-14.18

-8.98
2 RMMMF

3.66

-11.22

-7.56
3 HLMMF

4.89

-12.17

-7.28
4 WMMMF

3.55

-10.78

-7.23
5 YLMMF

4.24

-11.19

-6.95
6 FMMMF

5.4

-12.29

-6.89
7 HRMMF

3.27

-10.03

-6.76
8 WLMMF

3.16

-9.92

-6.76
9 RRMMF

4.5

-11.19

-6.69
10 HWMMF

3.55

-10.17

-6.62
11 WMLMF

1.88

-7.91

-6.03
12 WLWMF

5.06

-11.07

-6.01
13 WRMMF

2.94

-8.93

-5.99
14 HMMMF

4.19

-10.17

-5.98
15 RLMMF

2.96

-8.9

-5.94
16 RMFMF

5.18

-10.89

-5.71
17 RKMMF

5.31

-11.0

-5.69
18 WWMMF

3.83

-9.46

-5.63
19 WWFMF

4.2

-9.77

-5.57
20 WRFMF

2.87

-8.41

-5.54
21 WMWMF

5.3

-10.75

-5.45
22 YRMMF

4.85

-10.25

-5.4
23 WMFMF

4.27

-9.54

-5.27
24 FLMMF

3.44

-8.64

-5.2
25 YMMMF

4.41

-9.59

-5.18
26 YWMMF

4.61

-9.79

-5.18
27 FRMMF

3.67

-8.66

-4.99
28 WKMMF

4.48

-8.69

-4.21
29 WLFMF

4.88

-9.07

-4.19
30 RWMMF

6.6

-10.04

-3.44

 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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