Predicted ligand sequences


ADAN-name: 1T082.PDB (view again the scoring matrix)

PDB name: [1T08.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D A D T L L H F A T E S T P D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
poly-Ala A
A
A
A
 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 2.501 ΔGbinding -28.600
TOTAL
 -26.099
Backbone Hb -8.262 Cis_bond 0.000
Sidechain Hb -12.475 Torsional clash 1.996
Van der Waals -16.842 Backbone clash 0.345
Electrostatics -10.797 Helix dipole 0.181
Solvation Polar 27.023 Water bridges -0.599
Solvation Hyd -20.147 Disulfide 0.000
VdW clashes 1.480 Electrost. Kon -4.751
Entropy sc 7.078 Part.cov.bonds 0.000
Entropy mc

7.515

 ΔGstability

-112.178
       

Predicted ligand sequences for template [1T082.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).
 
  1T082.PDB  

(data)
# Predicted Sequences Value Calculate
1 MDDDRHNSWIEDWsE 0.0
2 MDDDyHNSWIEDWsE 0.01
3 MDDDRHNSWIEDWYE 0.02
4 MDDDyHNSWIEDWsD 0.03
5 MDDDyHNSWIEDWYE 0.03
6 MDDDRHNSWIEDWsD 0.03
7 MDDDRHNSWTEDWsE 0.04
8 MDDDRHNSWIEDWYD 0.05
9 MDDDyHNSWTEDWsE 0.05
10 MDDDyHNSWIEDWYD 0.06
11 MDDDyHNSWIEDWsp 0.07
12 MDDDyHNSWTEDWYE 0.07
13 MDDDRHNSWTEDWsD 0.07
14 MDDDRHNSWTEDWYE 0.07
15 MDDDRHNSWIEDWsp 0.07
16 MDDDyHNSWTEDWsD 0.07
17 MDDDRINSWIEDWsE 0.08
18 MDDDRHNSWIEDWYp 0.09
19 MDDDyINSWIEDWsE 0.09
20 MDDDRHNSWTEDWYD 0.09
21 MDDDyHNSWIEDWYp 0.1
22 MDDDyHNSWTEDWYD 0.1
23 MDDDRHNSRIEDWsE 0.1
24 MDDDyHNSRIEDWsE 0.11
25 MDDDRHNSWTEDWsp 0.11
26 MDDDyINSWIEDWYE 0.11
27 MDDDRINSWIEDWsD 0.11
28 MDDDRINSWIEDWYE 0.11
29 MDDDRHNSRIEDWYE 0.12
30 MDDDRINSWTEDWsE 0.12
31 MDDDyINSWIEDWsD 0.12
32 MDDDyHNSWTEDWsp 0.12
33 MDDDyHNSRIEDWsD 0.13
34 MDDDRHNSRIEDWsD 0.13
35 MDDDRHNSWTEDWYp 0.13
36 MDDDyHNSRIEDWYE 0.13
37 MDDDyINSWTEDWsE 0.13
38 MDDDRINSWIEDWYD 0.13
39 MDDDyHNSWTEDWYp 0.14
40 MDDDRHNSWIEDMsE 0.14
41 MDDDRHNSRTEDWsE 0.14
42 MDDDyHNSWIEDMsE 0.14
43 MDDDyINSWIEDWYD 0.14
44 MDDDFHNSWIEDWsE 0.14
45 MDDDRHNSRIEDWYD 0.15
46 MDDDRINSWTEDWsD 0.15
47 MDDDRINSWIEDWsp 0.15
48 MDDDyHNSRTEDWsE 0.15
49 MDDDRINSWTEDWYE 0.15
50 MDDDyINSWTEDWYE 0.16
51 MDDDRHNSWIEDMYE 0.16
52 MDDDRHNSWIEDMsD 0.16
53 MDDDyINSWIEDWsp 0.16
54 MDDDFHNSWIEDWsD 0.16
55 MDDDFHNSWIEDWYE 0.16
56 MDDDyHNSRIEDWYD 0.16
57 MDDDyINSWTEDWsD 0.16
58 MDDDRLNSWIEDWsE 0.17
59 MDDDyHNSRIEDWsp 0.17
60 MDDDRHNSRTEDWYE 0.17
61 MDDDyHNSWIEDMYE 0.17
62 MDDDRHNSRTEDWsD 0.17
63 MDDDyHNSRTEDWYE 0.17
64 MDDDyHNSWIEDMsD 0.17
65 MDDDRHNSRIEDWsp 0.17
66 MDDDyHNSRTEDWsD 0.17
67 MDDDRINSWIEDWYp 0.17
68 MDDDRINSWTEDWYD 0.17
69 MDDDyINSWTEDWYD 0.18
70 MDDDRHNSWIEDMYD 0.18
71 MDDDyHNSWTEDMsE 0.18
72 MDDDRHNFWIEDWsE 0.18
73 MDDDRHNSWTEDMsE 0.18
74 MDDDyINSWIEDWYp 0.18
75 MDDDRINSRIEDWsE 0.18
76 MDDDyLNSWIEDWsE 0.18
77 MDDDFHNSWTEDWsE 0.18
78 MDDDRHNSRTEDWYD 0.19
79 MDDDyHNSWIEDMYD 0.19
80 MDDDRHNSRIEDWYp 0.19
81 MDDDRINSWTEDWsp 0.19
82 MDDDFHNSWIEDWYD 0.19
83 MDDDyHNFWIEDWsE 0.19
84 MDDDyINSRIEDWsE 0.19
85 MDDDRHNSWTEDMsD 0.2
86 MDDDFHNSWTEDWYE 0.2
87 MDDDyLNSWIEDWYE 0.2
88 MDDDRHNSWIEDMsp 0.2
89 MDDDyHNSRTEDWYD 0.2
90 MDDDRHNFWIEDWsD 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MDDDyHNSRIEDWsE

3.64

-34.81

-31.17
2 MDDDRHNSWIEDWsD

3.13

-34.24

-31.11
3 MDDDRHNSWIEDWYp

3.21

-34.27

-31.06
4 MDDDyHNSWIEDWsD

3.42

-34.15

-30.73
5 MDDDRHNSWTEDWsD

3.2

-33.92

-30.72
6 MDDDyHNSWIEDWYE

3.36

-33.92

-30.56
7 MDDDRHNSWIEDWsp

3.62

-34.18

-30.56
8 MDDDRHNSWIEDWsE

3.8

-34.34

-30.54
9 MDDDRHNSWTEDWYD

3.02

-33.24

-30.22
10 MDDDyINSWIEDWsE

3.45

-33.63

-30.18
11 MDDDRINSWTEDWsE

2.73

-32.87

-30.14
12 MDDDRHNSRIEDWsE

3.3

-33.42

-30.12
13 MDDDRHNSWIEDWYD

3.43

-33.45

-30.02
14 MDDDRINSWIEDWsD

3.11

-33.06

-29.95
15 MDDDyHNSWIEDWsE

3.15

-33.09

-29.94
16 MDDDyHNSWIEDWYD

3.78

-33.59

-29.81
17 MDDDRHNSWTEDWsp

3.63

-33.44

-29.81
18 MDDDRINSWIEDWsE

3.89

-33.69

-29.8
19 MDDDyHNSWTEDWsE

3.05

-32.66

-29.61
20 MDDDyHNSWTEDWsD

3.2

-32.78

-29.58
21 MDDDRHNSWTEDWYE

3.15

-32.26

-29.11
22 MDDDRHNSWIEDWYE

3.25

-32.03

-28.78
23 MDDDyINSWIEDWYE

3.14

-31.87

-28.73
24 MDDDyHNSWTEDWYE

3.13

-31.72

-28.59
25 MDDDRHNSRIEDWYE

3.48

-32.06

-28.58
26 MDDDyHNSWTEDWYD

3.31

-31.66

-28.35
27 MDDDRINSWIEDWYE

4.26

-32.46

-28.2
28 MDDDyHNSWIEDWYp

3.55

-31.18

-27.63
29 MDDDRHNSWTEDWsE

3.72

-30.39

-26.67
30 MDDDyHNSWIEDWsp

4.92

-31.11

-26.19

 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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