Predicted ligand sequences


ADAN-name: 1E962.PDB (view again the scoring matrix)

PDB name: [1E96.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K T C L L I S Y T T N A F P G E Y I
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala
A
 A A
A
A
 A
A
A
 A A A
A
 A A
G
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 2.898 ΔGbinding -17.655
TOTAL
 -14.757
Backbone Hb -5.000 Cis_bond 0.000
Sidechain Hb -8.925 Torsional clash 0.998
Van der Waals -10.752 Backbone clash 1.368
Electrostatics -4.587 Helix dipole -0.086
Solvation Polar 15.062 Water bridges -0.202
Solvation Hyd -14.051 Disulfide 0.000
VdW clashes 1.982 Electrost. Kon -1.794
Entropy sc 4.858 Part.cov.bonds 0.000
Entropy mc

4.842

 ΔGstability

-20.566
       

Predicted ligand sequences for template [1E962.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).
 
  1E962.PDB  

(data)
# Predicted Sequences Value Calculate
1 SYRIWWWGMCKMIWWEDW 0.0
2 SYRIWWWDMCKMIWWEDW 0.0
3 SYRPWWWVMCKMIWWEDW 0.0
4 SYRPWWWDMCKMIWWEDW 0.0
5 AYRPWWWGMCKMIWWEDW 0.0
6 GYRPWWWGMCKMIWWEDW 0.0
7 SYRPWWWGMCKMIWWEDW 0.0
8 AYRPWWWDMCKMIWWEDW 0.0
9 SYRVWWWDMCKMIWWEDW 0.0
10 GYRPWWWDMCKMIWWEDW 0.0
11 SYRVWWWGMCKMIWWEDW 0.0
12 SYRVWWWVMCKMIWWEDW 0.01
13 AYRIWWWDMCKMIWWEDW 0.01
14 SYRIWWWVMCKMIWWEDW 0.01
15 AYRVWWWVMCKMIWWEDW 0.01
16 GYRIWWWVMCKMIWWEDW 0.01
17 GYRVWWWDMCKMIWWEDW 0.01
18 GYRIWWWDMCKMIWWEDW 0.01
19 GYRIWWWGMCKMIWWEDW 0.01
20 GYRPWWWVMCKMIWWEDW 0.01
21 GYRVWWWGMCKMIWWEDW 0.01
22 AYRVWWWGMCKMIWWEDW 0.01
23 AYRIWWWVMCKMIWWEDW 0.01
24 AYRIWWWGMCKMIWWEDW 0.01
25 GYRVWWWVMCKMIWWEDW 0.01
26 AYRVWWWDMCKMIWWEDW 0.01
27 AYRPWWWVMCKMIWWEDW 0.01
28 SYRVWWWDMCKMIWFEDW 0.02
29 SYRVWWWGMCKMIWFEDW 0.02
30 AYRIWWWDMCKMIWFEDW 0.02
31 GYRPWWWDMCKMIWFEDW 0.02
32 SYRIWWWVMCKMIWFEDW 0.02
33 GYRIWWWGMCKMIWFEDW 0.02
34 SYRPWWWGMCKMIWFEDW 0.02
35 AYRVWWWGMCKMIWFEDW 0.02
36 AYRPWWWGMCKMIWFEDW 0.02
37 SYRPWWWVMCKMIWFEDW 0.02
38 SYRPWWWDMCKMIWFEDW 0.02
39 GYRPWWWGMCKMIWFEDW 0.02
40 AYRIWWWGMCKMIWFEDW 0.02
41 SYRIWWWDMCKMIWFEDW 0.02
42 GYRVWWWDMCKMIWFEDW 0.02
43 SYRIWWWGMCKMIWFEDW 0.02
44 AYRVWWWDMCKMIWFEDW 0.02
45 GYRIWWWDMCKMIWFEDW 0.02
46 AYRPWWWDMCKMIWFEDW 0.02
47 AYRPWWWVMCKMIWFEDW 0.02
48 GYRPWWWVMCKMIWFEDW 0.02
49 GYRVWWWGMCKMIWFEDW 0.02
50 SYRVWWWVMCKMIWFEDW 0.02
51 GYRIWWWVMCKMIWFEDW 0.03
52 GYRVWWWVMCKMIWFEDW 0.03
53 AYRIWWWVMCKMIWFEDW 0.03
54 AYRVWWWVMCKMIWFEDW 0.03
55 SYRPWWWGMCKMFWWEDW 0.04
56 SYRVWWWDMCKMFWWEDW 0.04
57 SYRIWWWGMCKMFWWEDW 0.04
58 AYRPWWWVMCKMFWWEDW 0.04
59 AYRPWWWGMCKMFWWEDW 0.04
60 SYRVWWWVMCKMFWWEDW 0.04
61 AYRVWWWGMCKMFWWEDW 0.04
62 AYRIWWWGMCKMFWWEDW 0.04
63 GYRVWWWDMCKMFWWEDW 0.04
64 GYRPWWWGMCKMFWWEDW 0.04
65 GYRIWWWGMCKMFWWEDW 0.04
66 SYRPWWWVMCKMFWWEDW 0.04
67 GYRVWWWGMCKMFWWEDW 0.04
68 SYRVWWWGMCKMFWWEDW 0.04
69 AYRIWWWVMCKMFWWEDW 0.04
70 GYRVWWWVMCKMFWWEDW 0.04
71 AYRIWWWDMCKMFWWEDW 0.04
72 SYRPWWWDMCKMFWWEDW 0.04
73 SYRIWWWDMCKMFWWEDW 0.04
74 GYRIWWWDMCKMFWWEDW 0.04
75 SYRIWWWVMCKMFWWEDW 0.04
76 GYRPWWWDMCKMFWWEDW 0.04
77 AYRVWWWVMCKMFWWEDW 0.04
78 AYRVWWWDMCKMFWWEDW 0.04
79 AYRPWWWDMCKMFWWEDW 0.04
80 GYRPWWWVMCKMFWWEDW 0.04
81 GYRIWWWVMCKMFWWEDW 0.04
82 SYRIWWWDMCKMFWFEDW 0.05
83 SYRPWWWGMCKMFWFEDW 0.05
84 AYRPWWWGMCKMFWFEDW 0.05
85 GYRPWWWDMCKMFWFEDW 0.05
86 SYRVWWWGMCKMFWFEDW 0.05
87 SYRIWWWGMCKMFWFEDW 0.05
88 GYRPWWWGMCKMFWFEDW 0.05
89 SYRPWWWDMCKMFWFEDW 0.05
90 SYRVWWWDMCKMFWFEDW 0.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 AYRIWWWGMCKMIWWEDW

5.93

-20.63

-14.7
2 SYRIWWWGMCKMIWWEDW

6.49

-21.15

-14.66
3 AYRPWWWGMCKMIWWEDW

7.32

-21.43

-14.11
4 GYRPWWWVMCKMIWWEDW

8.77

-21.23

-12.46
5 AYRPWWWDMCKMIWWEDW

9.02

-21.38

-12.36
6 AYRIWWWDMCKMIWWEDW

6.34

-16.99

-10.65
7 SYRPWWWVMCKMIWWEDW

9.88

-20.14

-10.26
8 GYRVWWWVMCKMIWWEDW

9.49

-17.76

-8.27
9 AYRIWWWDMCKMIWFEDW

19.62

-3.26

16.36
10 AYRPWWWVMCKMIWWEDW

24.81

-7.8

17.01
11 SYRIWWWVMCKMIWWEDW

22.93

-5.39

17.54
12 SYRIWWWDMCKMIWWEDW

12.13

5.44

17.57
13 SYRVWWWDMCKMIWFEDW

20.21

-2.24

17.97
14 SYRPWWWDMCKMIWWEDW

20.31

-2.15

18.16
15 GYRPWWWGMCKMIWWEDW

22.38

-3.93

18.45
16 GYRVWWWGMCKMIWWEDW

16.66

2.0

18.66
17 GYRIWWWVMCKMIWWEDW

15.98

2.89

18.87
18 GYRVWWWDMCKMIWWEDW

17.96

1.57

19.53
19 SYRVWWWVMCKMIWWEDW

18.8

0.83

19.63
20 GYRIWWWGMCKMIWWEDW

20.38

0.11

20.49
21 AYRIWWWVMCKMIWWEDW

17.78

2.78

20.56
22 GYRIWWWDMCKMIWWEDW

17.16

3.83

20.99
23 AYRVWWWGMCKMIWWEDW

24.0

-1.12

22.88
24 AYRVWWWDMCKMIWWEDW

20.15

2.91

23.06
25 GYRPWWWDMCKMIWWEDW

27.52

-2.91

24.61
26 SYRPWWWGMCKMIWWEDW

31.11

-4.64

26.47
27 SYRVWWWGMCKMIWWEDW

39.21

-5.44

33.77
28 AYRVWWWVMCKMIWWEDW

44.17

-7.81

36.36
29 SYRVWWWGMCKMIWFEDW

39.95

0.82

40.77
30 SYRVWWWDMCKMIWWEDW

48.43

-2.37

46.06

 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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