Predicted ligand sequences


ADAN-name: 1M1E2.PDB (view again the scoring matrix)

PDB name: [1M1E.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V R V L L M L R K M G S N L T A S E E E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A A A
A
A
A
A
A
A
G
A
 A A 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 1.312 ΔGbinding -17.977
TOTAL
 -16.665
Backbone Hb -2.625 Cis_bond 0.000
Sidechain Hb -8.625 Torsional clash 0.270
Van der Waals -8.099 Backbone clash 0.169
Electrostatics -3.106 Helix dipole 0.052
Solvation Polar 9.346 Water bridges -0.742
Solvation Hyd -11.100 Disulfide 0.000
VdW clashes 0.046 Electrost. Kon -0.782
Entropy sc 5.508 Part.cov.bonds 0.000
Entropy mc

1.881

 ΔGstability

-107.921
       

Predicted ligand sequences for template [1M1E2.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).
 
  1M1E2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SYMMERRQRWGTysKNWEyR 0.0
2 SYFMKRRQRWGTysKNWEyR 0.0
3 SYMMKRRQRWGTysKNWEyR 0.0
4 HYMMERRQRWGTysENWEyR 0.01
5 GYMMERRQRWGTysKNWEyR 0.01
6 HYFMERRQRWGTysKNWEyR 0.01
7 SYFMERRQRWGTysENWEyR 0.01
8 SYMMKRRQRWGTysENWEyR 0.01
9 SYMMERRQRWGTysENWEyR 0.01
10 SYFMKRRQRWGTysENWEyR 0.01
11 SYFMERRQRWGTysKNWEyR 0.01
12 GYMMKRRQRWGTysKNWEyR 0.01
13 HYMMERRQRWGTysKNWEyR 0.01
14 HYMMKRRQRWGTysENWEyR 0.01
15 HYFMKRRQRWGTysKNWEyR 0.01
16 SYMMsRRQRWGTysKNWEyR 0.01
17 HYMMKRRQRWGTysKNWEyR 0.01
18 SYMMERRQRWGTysKNWEyK 0.02
19 GYMMERRQRWGTysENWEyR 0.02
20 HYFMKRRQRWGTysENWEyR 0.02
21 SYFMsRRQRWGTysKNWEyR 0.02
22 GYMMKRRQRWGTysENWEyR 0.02
23 GYFMKRRQRWGTysENWEyR 0.02
24 SYMMKRRQRWGTysENWEyK 0.02
25 GYFMERRQRWGTysENWEyR 0.02
26 GYFMKRRQRWGTysKNWEyR 0.02
27 SYFMsRRQRWGTysENWEyR 0.02
28 GYFMERRQRWGTysKNWEyR 0.02
29 SYMMKRRQRWGTysKNWEyK 0.02
30 HYMMsRRQRWGTysKNWEyR 0.02
31 HYFMERRQRWGTysENWEyR 0.02
32 SYMMsRRQRWGTysENWEyR 0.02
33 SYFMKRRQRWGTysKNWEyK 0.02
34 HYMMERRQRWGTysENWEyK 0.03
35 GYFMsRRQRWGTysKNWEyR 0.03
36 GYMMsRRQRWGTysENWEyR 0.03
37 GYFMsRRQRWGTysENWEyR 0.03
38 GYMMERRQRWGTysKNWEyK 0.03
39 HYFMERRQRWGTysKNWEyK 0.03
40 SYFMERRQRWGTysENWEyK 0.03
41 SYMMERRQRWGTysENWEyK 0.03
42 SYFMKRRQRWGTysENWEyK 0.03
43 HYFMsRRQRWGTysENWEyR 0.03
44 SYFMERRQRWGTysKNWEyK 0.03
45 HYFMsRRQRWGTysKNWEyR 0.03
46 HYMMsRRQRWGTysENWEyR 0.03
47 GYMMKRRQRWGTysKNWEyK 0.03
48 HYMMERRQRWGTysKNWEyK 0.03
49 HYMMKRRQRWGTysENWEyK 0.03
50 GYMMsRRQRWGTysKNWEyR 0.03
51 HYFMKRRQRWGTysKNWEyK 0.03
52 SYMMsRRQRWGTysKNWEyK 0.03
53 HYMMKRRQRWGTysKNWEyK 0.03
54 SYMMERRQRWGTDsENWEyR 0.04
55 GYMMsRRQRWGTysKNWEyK 0.04
56 HYFMKRRQRWGTysENWEyK 0.04
57 SYFMKRRQKWGTysKNWEyR 0.04
58 SYMMERRQRWGTDsKNWEyR 0.04
59 SYFMsRRQRWGTysKNWEyK 0.04
60 GYFMERRQRWGTysKNWEyK 0.04
61 GYMMKRRQRWGTysENWEyK 0.04
62 GYFMKRRQRWGTysENWEyK 0.04
63 SYMMKRRQRWGTysKRWEyR 0.04
64 SYFMKRRQRWGTDsKNWEyR 0.04
65 SYMMKRRQKWGTysENWEyR 0.04
66 SYFMsRRQRWGTysENWEyK 0.04
67 GYFMERRQRWGTysENWEyK 0.04
68 GYFMKRRQRWGTysKNWEyK 0.04
69 SYFMERRQKWGTysKNWEyR 0.04
70 HYMMKRRQRWGTDsKNWEyR 0.04
71 HYFMsRRQRWGTysKNWEyK 0.04
72 HYMMsRRQRWGTysENWEyK 0.04
73 SYMMERRQKWGTysKNWEyR 0.04
74 SYMMKRRQKWGTysKNWEyR 0.04
75 SYMMKRRQRWGTDsENWEyR 0.04
76 GYMMERRQRWGTysENWEyK 0.04
77 HYMMsRRQRWGTysKNWEyK 0.04
78 HYFMERRQRWGTysENWEyK 0.04
79 SYFMERRQRWGTDsKNWEyR 0.04
80 SYMMKRRQRWGTDsKNWEyR 0.04
81 SYMMsRRQRWGTysENWEyK 0.04
82 SYMMsRRQKWGTysKNWEyR 0.05
83 SYFMERRQRWGTDsENWEyR 0.05
84 GYFMKRRQRWGTDsKNWEyR 0.05
85 HYMMKRRQRWGTDsENWEyR 0.05
86 SYMMKRRQRWGTysRNWEyR 0.05
87 SYMMERRQRWGTysKNWEyW 0.05
88 GYFMsRRQRWGTysKNWEyK 0.05
89 HYMMKRRQKWGTysKNWEyR 0.05
90 GYMMsRRQRWGTysENWEyK 0.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SYFMERRQRWGTysKNWEyR

3.23

-17.39

-14.16
2 HYMMsRRQRWGTysKNWEyR

3.26

-16.8

-13.54
3 GYMMERRQRWGTysENWEyR

5.1

-15.62

-10.52
4 GYMMKRRQRWGTysKNWEyR

3.17

-13.01

-9.84
5 SYMMKRRQRWGTysENWEyR

5.87

-14.73

-8.86
6 SYMMKRRQRWGTysKNWEyR

5.68

-14.36

-8.68
7 SYFMsRRQRWGTysENWEyR

4.17

-12.37

-8.2
8 SYMMERRQRWGTysKNWEyR

6.5

-14.5

-8.0
9 GYFMERRQRWGTysKNWEyR

7.99

-15.82

-7.83
10 HYMMERRQRWGTysKNWEyR

5.06

-12.21

-7.15
11 HYFMKRRQRWGTysENWEyR

9.29

-16.26

-6.97
12 GYFMERRQRWGTysENWEyR

6.98

-13.47

-6.49
13 HYMMKRRQRWGTysKNWEyR

7.27

-13.62

-6.35
14 SYFMKRRQRWGTysKNWEyR

5.48

-11.81

-6.33
15 GYMMKRRQRWGTysENWEyR

4.23

-10.51

-6.28
16 SYFMKRRQRWGTysENWEyR

9.19

-14.88

-5.69
17 HYMMERRQRWGTysENWEyR

6.45

-12.06

-5.61
18 HYMMKRRQRWGTysENWEyR

10.69

-15.91

-5.22
19 SYMMKRRQRWGTysKNWEyK

8.68

-13.7

-5.02
20 SYMMsRRQRWGTysKNWEyR

6.45

-10.3

-3.85
21 GYFMKRRQRWGTysENWEyR

9.52

-13.31

-3.79
22 SYMMKRRQRWGTysENWEyK

7.26

-10.95

-3.69
23 GYMMERRQRWGTysKNWEyR

6.91

-9.7

-2.79
24 SYMMERRQRWGTysKNWEyK

9.26

-11.92

-2.66
25 SYMMERRQRWGTysENWEyR

10.04

-11.6

-1.56
26 SYFMERRQRWGTysENWEyR

7.46

-8.41

-0.95
27 HYFMERRQRWGTysKNWEyR

12.49

-12.86

-0.37
28 GYFMKRRQRWGTysKNWEyR

25.18

-15.91

9.27
29 SYFMsRRQRWGTysKNWEyR

25.35

-13.92

11.43
30 HYFMKRRQRWGTysKNWEyR

27.24

-13.94

13.3

 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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