Predicted ligand sequences


ADAN-name: 2O982.PDB (view again the scoring matrix)

PDB name: [2O98.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D I E T I Q Q S Y D I
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
 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 4.959 ΔGbinding -17.830
TOTAL
 -12.871
Backbone Hb -5.030 Cis_bond 0.000
Sidechain Hb -13.730 Torsional clash 0.210
Van der Waals -10.850 Backbone clash 0.740
Electrostatics -3.930 Helix dipole 0.000
Solvation Polar 19.080 Water bridges -2.080
Solvation Hyd -13.540 Disulfide 0.000
VdW clashes 0.320 Electrost. Kon -2.730
Entropy sc 10.410 Part.cov.bonds 0.000
Entropy mc

4.040

 ΔGstability

-36.240
       

Predicted ligand sequences for template [2O982.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).
 
  2O982.PDB  

(data)
# Predicted Sequences Value Calculate
1 sMyKWRsCYDI 0.0
2 sMyKWKsCYDI 0.05
3 sMyKWRsCYDF 0.1
4 sMyRWRsCYDI 0.11
5 sMyWWRsCYDI 0.12
6 sMyKWKsCYDF 0.15
7 sMyKWRsCYDL 0.15
8 sMHKWRsCYDI 0.16
9 sMyRWKsCYDI 0.16
10 sMyWWKsCYDI 0.17
11 sMyKWKsCYDL 0.2
12 sMHKWKsCYDI 0.21
13 sMyRWRsCYDF 0.21
14 sMyWWRsCYDF 0.22
15 sMyKWRsAYDI 0.23
16 sMFKWRsCYDI 0.26
17 sMyRWKsCYDF 0.26
18 sMyRWRsCYDL 0.26
19 sMyWWKsCYDF 0.27
20 sMHKWRsCYDF 0.27
21 sMyWWRsCYDL 0.27
22 sMHRWRsCYDI 0.27
23 sMyKWYsCYDI 0.28
24 sMyKWKsAYDI 0.28
25 sMHWWRsCYDI 0.29
26 sMyKLRsCYDI 0.3
27 sMFKWKsCYDI 0.31
28 sMHKWRsCYDL 0.31
29 sMyRWKsCYDL 0.31
30 sMHKWKsCYDF 0.32
31 sMyWWKsCYDL 0.32
32 sMHRWKsCYDI 0.32
33 sIyKWRsCYDI 0.33
34 sMyKWRsAYDF 0.33
35 sMyKMRsCYDI 0.33
36 sMHWWKsCYDI 0.34
37 sMyRWRsAYDI 0.34
38 sMyKWRsPYDI 0.35
39 sMyWWRsAYDI 0.35
40 sMyKLKsCYDI 0.35
41 sMHKWKsCYDL 0.36
42 sMFKWRsCYDF 0.36
43 sMFRWRsCYDI 0.37
44 sMyKWRsAYDL 0.37
45 sMyKMKsCYDI 0.38
46 sMyKWYsCYDF 0.38
47 sIyKWKsCYDI 0.38
48 sMFWWRsCYDI 0.38
49 sMyKWKsAYDF 0.38
50 sMHRWRsCYDF 0.38
51 sMHWWRsCYDF 0.39
52 sMyRWYsCYDI 0.39
53 sMyRWKsAYDI 0.39
54 sMHKWRsAYDI 0.39
55 sMyWWYsCYDI 0.4
56 sMyKLRsCYDF 0.4
57 sMyWWKsAYDI 0.4
58 sMFKWRsCYDL 0.4
59 sMyKWKsPYDI 0.4
60 sMFKWKsCYDF 0.41
61 sMyRLRsCYDI 0.41
62 sMyWLRsCYDI 0.42
63 sMFRWKsCYDI 0.42
64 sMyKWKsAYDL 0.42
65 sMHRWRsCYDL 0.42
66 sMFWWKsCYDI 0.43
67 sMHWWRsCYDL 0.43
68 sMyKWYsCYDL 0.43
69 sIyKWRsCYDF 0.43
70 sMHRWKsCYDF 0.43
71 sMyRMRsCYDI 0.43
72 sMyKMRsCYDF 0.43
73 sMHKWKsAYDI 0.44
74 sIyRWRsCYDI 0.44
75 sMyRWRsAYDF 0.44
76 sMHWWKsCYDF 0.44
77 sMHKWYsCYDI 0.44
78 sMyKWRsPYDF 0.45
79 sMyKLRsCYDL 0.45
80 sMFKWKsCYDL 0.45
81 sMyWMRsCYDI 0.45
82 sMyWWRsAYDF 0.45
83 sMyKWRsCIDI 0.45
84 sMyKLKsCYDF 0.45
85 sIyWWRsCYDI 0.45
86 sMHKLRsCYDI 0.46
87 sMyRWRsPYDI 0.46
88 sMyRLKsCYDI 0.46
89 sMFRWRsCYDF 0.47
90 sMyWWRsPYDI 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sMFKWRsCYDI

4.67

-23.72

-19.05
2 sMyKWRsCYDI

4.3

-23.34

-19.04
3 sMHKWRsCYDI

4.8

-23.71

-18.91
4 sMyWWRsCYDI

4.84

-23.56

-18.72
5 sMHRWRsCYDI

4.59

-23.26

-18.67
6 sMyRWKsCYDI

4.22

-22.68

-18.46
7 sMyKWKsCYDF

4.81

-23.04

-18.23
8 sMHKWKsCYDI

4.21

-22.28

-18.07
9 sMFKWKsCYDI

4.81

-22.76

-17.95
10 sMHWWRsCYDI

4.16

-21.88

-17.72
11 sMyRWRsCYDL

4.25

-21.96

-17.71
12 sMyWWRsCYDF

5.59

-23.14

-17.55
13 sMyWWRsCYDL

4.4

-21.93

-17.53
14 sMyKWKsAYDI

4.38

-21.87

-17.49
15 sMyKWRsCYDF

4.58

-21.79

-17.21
16 sMHKWRsCYDL

4.1

-21.28

-17.18
17 sMyRWKsCYDF

4.78

-21.83

-17.05
18 sMyWWKsCYDI

4.6

-21.47

-16.87
19 sMyWWKsCYDF

4.98

-21.84

-16.86
20 sMyKWKsCYDI

4.8

-21.31

-16.51
21 sMyKWRsAYDI

4.61

-21.11

-16.5
22 sMyRWRsCYDF

4.31

-20.69

-16.38
23 sMHKWKsCYDF

4.26

-20.6

-16.34
24 sMyRWRsCYDI

4.79

-21.12

-16.33
25 sMyKWRsCYDL

4.66

-20.62

-15.96
26 sMHKWRsCYDF

4.52

-20.23

-15.71
27 sMyKLRsCYDI

4.37

-19.9

-15.53
28 sMyKWYsCYDI

4.27

-19.62

-15.35
29 sMyRWKsCYDL

5.37

-19.52

-14.15
30 sMyKWKsCYDL

4.21

-18.0

-13.79

 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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