Predicted ligand sequences


ADAN-name: 1YWT2.PDB (view again the scoring matrix)

PDB name: [1YWT.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S H s Y P A
position 1 2 3 4 5 6
poly-Ala A 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 5.067 ΔGbinding -15.850
TOTAL
 -10.783
Backbone Hb -3.710 Cis_bond 0.000
Sidechain Hb -11.870 Torsional clash 0.110
Van der Waals -8.410 Backbone clash 0.650
Electrostatics -4.590 Helix dipole -0.060
Solvation Polar 16.650 Water bridges -1.470
Solvation Hyd -9.180 Disulfide 0.000
VdW clashes 0.470 Electrost. Kon -2.740
Entropy sc 6.550 Part.cov.bonds 0.000
Entropy mc

2.400

 ΔGstability

-17.910
       

Predicted ligand sequences for template [1YWT2.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).
 
  1YWT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SNsFGs 0.0
2 SNsFGM 0.03
3 TNsFGs 0.1
4 TNsFGM 0.13
5 SIsFGs 0.14
6 SIsFGM 0.17
7 SNsMGs 0.2
8 SNsWGs 0.21
9 SNsFPs 0.23
10 TIsFGs 0.23
11 SHsFGs 0.23
12 CNsFGs 0.23
13 SNsMGM 0.23
14 SNsWGM 0.24
15 SNsFPM 0.26
16 SHsFGM 0.26
17 CNsFGM 0.26
18 TIsFGM 0.27
19 SNsFGD 0.27
20 SNpFGs 0.29
21 TNsMGs 0.29
22 TNsWGs 0.3
23 THsFGs 0.32
24 TNsFPs 0.32
25 SNpFGM 0.32
26 TNsMGM 0.33
27 TNsWGM 0.34
28 SIsMGs 0.34
29 SIsWGs 0.35
30 TNsFPM 0.35
31 THsFGM 0.35
32 SIsFPs 0.36
33 TNsFGD 0.36
34 CIsFGs 0.36
35 SIsMGM 0.37
36 SIsWGM 0.38
37 TNpFGs 0.38
38 SIsFPM 0.4
39 SIsFGD 0.4
40 CIsFGM 0.4
41 TNpFGM 0.42
42 SNsMPs 0.42
43 SIpFGs 0.43
44 SHsMGs 0.43
45 TIsMGs 0.43
46 CNsMGs 0.43
47 SNsWPs 0.43
48 CNsWGs 0.44
49 SHsWGs 0.44
50 TIsWGs 0.44
51 CHsFGs 0.45
52 SHsFPs 0.45
53 CNsFPs 0.45
54 SIpFGM 0.46
55 TIsFPs 0.46
56 SHsMGM 0.46
57 CNsMGM 0.46
58 TIsMGM 0.46
59 SNsMPM 0.46
60 SNsMGD 0.46
61 CNsWGM 0.47
62 TIsWGM 0.47
63 SHsWGM 0.47
64 SNsWPM 0.47
65 SNsWGD 0.47
66 CNsFPM 0.48
67 CHsFGM 0.48
68 SHsFPM 0.48
69 TIsFPM 0.49
70 SNsFPD 0.49
71 SHsFGD 0.49
72 SNpMGs 0.49
73 CNsFGD 0.49
74 SNpWGs 0.5
75 TIsFGD 0.5
76 SNpFPs 0.51
77 CNpFGs 0.52
78 THsMGs 0.52
79 TNsMPs 0.52
80 SNpMGM 0.52
81 TIpFGs 0.52
82 SHpFGs 0.52
83 SNpWGM 0.53
84 THsWGs 0.53
85 TNsWPs 0.53
86 THsMGM 0.55
87 TNsMPM 0.55
88 SNpFGD 0.55
89 SNpFPM 0.55
90 CNpFGM 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TNsFPs

5.47

-18.05

-12.58
2 TIsFGs

4.36

-16.9

-12.54
3 SIsFGM

3.69

-16.16

-12.47
4 TIsFGM

4.56

-16.93

-12.37
5 SIsFGs

3.68

-15.89

-12.21
6 TNsFGs

3.7

-15.87

-12.17
7 TNsFPM

4.41

-16.41

-12.0
8 THsFGs

3.7

-15.65

-11.95
9 TNsMGs

4.31

-16.24

-11.93
10 SNsFPs

4.77

-16.65

-11.88
11 SNsFGD

3.7

-15.57

-11.87
12 SHsFGM

3.63

-15.25

-11.62
13 SNpFGs

4.97

-16.57

-11.6
14 SIsMGs

3.78

-15.3

-11.52
15 TNsFGM

4.72

-16.17

-11.45
16 SNsMGM

3.74

-15.12

-11.38
17 SIsWGs

3.63

-14.97

-11.34
18 SNsFGM

3.85

-15.18

-11.33
19 SHsFGs

3.79

-15.07

-11.28
20 TNsWGM

3.81

-15.05

-11.24
21 SNsFPM

5.0

-16.24

-11.24
22 CNsFGM

3.54

-14.6

-11.06
23 SNpFGM

4.73

-15.66

-10.93
24 TNsMGM

3.64

-14.22

-10.58
25 SNsFGs

3.76

-14.34

-10.58
26 CNsFGs

3.93

-14.35

-10.42
27 SNsWGM

3.75

-14.09

-10.34
28 SNsWGs

4.03

-14.11

-10.08
29 TNsWGs

4.24

-13.2

-8.96
30 SNsMGs

3.8

-12.75

-8.95

 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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