Predicted ligand sequences


ADAN-name: 1Y2A2.PDB (view again the scoring matrix)

PDB name: [1Y2A.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G K I S K H W T G I
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
A
A
A
A
 A A A
G
 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 16.995 ΔGbinding -12.028
TOTAL
 4.967
Backbone Hb -7.300 Cis_bond 0.000
Sidechain Hb -11.037 Torsional clash 0.667
Van der Waals -13.885 Backbone clash 0.858
Electrostatics -3.002 Helix dipole -0.138
Solvation Polar 22.579 Water bridges 0.050
Solvation Hyd -16.507 Disulfide 0.000
VdW clashes 5.347 Electrost. Kon -1.436
Entropy sc 5.315 Part.cov.bonds 0.000
Entropy mc

7.320

 ΔGstability

2.324
       

Predicted ligand sequences for template [1Y2A2.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).
 
  1Y2A2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SKMRRHGWGT 0.0
2 SKMRRHSWGT 0.01
3 SKMRRHFWGT 0.04
4 RKMRRHGWGT 0.08
5 RKMRRHSWGT 0.09
6 SKMRRHGMGT 0.1
7 SKMRRHGWGs 0.11
8 SKMRRHSMGT 0.11
9 SKMRRHSWGs 0.12
10 RKMRRHFWGT 0.12
11 SKMRRHFMGT 0.14
12 SKMRRHFWGs 0.15
13 SKMRRHGWGS 0.15
14 SKMRRHSWGS 0.17
15 RKMRRHGMGT 0.18
16 RKMRRHSMGT 0.19
17 RKMRRHGWGs 0.19
18 SKMRRHFWGS 0.2
19 RKMRRHSWGs 0.2
20 SKMRRHGMGs 0.21
21 SKMRRHSMGs 0.22
22 RKMRRHFMGT 0.22
23 RKMRRHGWGS 0.23
24 RKMRRHFWGs 0.23
25 SKMRRHGIGT 0.24
26 SKMRRHSIGT 0.25
27 SKMRRHGMGS 0.25
28 RKMRRHSWGS 0.25
29 SKMRRHFMGs 0.25
30 SRMRRHGWGT 0.25
31 SRMRRHSWGT 0.26
32 SKMRRHSMGS 0.26
33 RKMRRHFWGS 0.28
34 SKMRRHFIGT 0.28
35 RKMRRHGMGs 0.29
36 SRMRRHFWGT 0.29
37 SKMRRHFMGS 0.29
38 RKMRRHSMGs 0.3
39 RKMRRHGIGT 0.32
40 RKMRRHSIGT 0.33
41 RKMRRHGMGS 0.33
42 RRMRRHGWGT 0.33
43 RKMRRHFMGs 0.33
44 RKMRRHSMGS 0.34
45 RRMRRHSWGT 0.34
46 SKMRRHGIGs 0.35
47 SRMRRHGMGT 0.35
48 SKMRRHSIGs 0.36
49 SRMRRHGWGs 0.36
50 RKMRRHFIGT 0.36
51 SRMRRHSMGT 0.36
52 SRMRRHSWGs 0.37
53 RRMRRHFWGT 0.37
54 RKMRRHFMGS 0.37
55 SKMRRHGIGS 0.39
56 SRMRRHFMGT 0.39
57 SKMRRHFIGs 0.39
58 SKMRRHSIGS 0.4
59 SKMRRNGWGT 0.4
60 SKMRRFGWGT 0.4
61 SRMRRHFWGs 0.4
62 SRMRRHGWGS 0.4
63 SKMFRHGWGT 0.4
64 SKMRRFSWGT 0.41
65 SKMRRNSWGT 0.41
66 SKMFRHSWGT 0.41
67 SRMRRHSWGS 0.42
68 RKMRRHGIGs 0.43
69 RRMRRHGMGT 0.43
70 SKMRRHFIGS 0.43
71 SKRRRHGWGT 0.43
72 RKMRRHSIGs 0.44
73 SKMRRFFWGT 0.44
74 SKMFRHFWGT 0.44
75 RRMRRHGWGs 0.44
76 SKMRRNFWGT 0.44
77 RRMRRHSMGT 0.44
78 SKRRRHSWGT 0.45
79 SRMRRHFWGS 0.45
80 RRMRRHSWGs 0.45
81 SRMRRHGMGs 0.46
82 RRMRRHFMGT 0.47
83 RKMRRHFIGs 0.47
84 RKMRRHGIGS 0.47
85 SRMRRHSMGs 0.47
86 SKRRRHFWGT 0.48
87 RKMRRHSIGS 0.48
88 RKMRRNGWGT 0.48
89 RKMFRHGWGT 0.48
90 RKMRRFGWGT 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SKMRRHGMGT

9.41

-25.31

-15.9
2 SKMRRHGMGS

9.09

-23.25

-14.16
3 SKMRRHGMGs

8.91

-22.92

-14.01
4 SKMRRHFMGs

8.99

-22.85

-13.86
5 SKMRRHSMGT

9.2

-22.66

-13.46
6 SKMRRHGWGS

8.74

-21.92

-13.18
7 SKMRRHSMGs

8.71

-21.74

-13.03
8 SRMRRHGWGT

8.96

-21.85

-12.89
9 SKMRRHSWGS

9.14

-21.58

-12.44
10 SKMRRHSWGT

9.06

-21.35

-12.29
11 SKMRRHFWGS

9.11

-21.36

-12.25
12 RKMRRHSMGT

10.69

-22.61

-11.92
13 SKMRRHFWGs

9.21

-20.98

-11.77
14 RKMRRHGMGT

9.38

-21.0

-11.62
15 SKMRRHGIGT

8.8

-20.39

-11.59
16 SKMRRHGWGT

9.02

-20.32

-11.3
17 SKMRRHSIGT

10.77

-22.02

-11.25
18 RKMRRHGWGT

10.13

-21.07

-10.94
19 SKMRRHGWGs

8.9

-19.65

-10.75
20 RKMRRHFMGT

9.69

-20.23

-10.54
21 RKMRRHGWGs

10.97

-21.2

-10.23
22 SKMRRHSWGs

9.05

-18.85

-9.8
23 RKMRRHSWGs

10.63

-20.28

-9.65
24 RKMRRHGWGS

9.65

-19.26

-9.61
25 RKMRRHFWGT

9.28

-18.82

-9.54
26 RKMRRHSWGS

9.08

-18.57

-9.49
27 SKMRRHFWGT

10.62

-19.7

-9.08
28 SKMRRHFMGT

11.18

-19.95

-8.77
29 RKMRRHSWGT

9.37

-17.76

-8.39
30 RKMRRHFWGs

10.01

-18.39

-8.38

 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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