Predicted ligand sequences


ADAN-name: 1I7X3.PDB (view again the scoring matrix)

PDB name: [1I7X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D S D P T A P P Y D S L L V F D Y E G S
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
A
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 7.472 ΔGbinding -29.865
TOTAL
 -22.393
Backbone Hb -9.613 Cis_bond 0.000
Sidechain Hb -11.912 Torsional clash 1.232
Van der Waals -18.528 Backbone clash 1.205
Electrostatics -11.445 Helix dipole 0.101
Solvation Polar 30.562 Water bridges -1.205
Solvation Hyd -21.047 Disulfide 0.000
VdW clashes 0.935 Electrost. Kon -5.190
Entropy sc 7.697 Part.cov.bonds 0.000
Entropy mc

8.548

 ΔGstability

78.698
       

Predicted ligand sequences for template [1I7X3.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).
 
  1I7X3.PDB  

(data)
# Predicted Sequences Value Calculate
1 DyHDYDSPyEDRNTEyyEGA 0.0
2 DysDYDSPyEDRNTEyyEGA 0.01
3 DysDYDSPyEDRNTEyFEGA 0.05
4 DyHDYDSPyEDRNTEyFEGA 0.05
5 DyHDYDyPyEDRNTEyyEGA 0.07
6 DysDYDyPyEDRNTEyyEGA 0.08
7 DyHDYDSPyEDRNTEWyEGA 0.09
8 DyMDYDSPyEDRNTEyyEGA 0.09
9 DysDYDSPyEDRNTEWyEGA 0.1
10 DyHDYDNPyEDRNTEyyEGA 0.11
11 DysDYDyPyEDRNTEyFEGA 0.12
12 DysDYDNPyEDRNTEyyEGA 0.12
13 DyHDYDyPyEDRNTEyFEGA 0.12
14 DyMDYDSPyEDRNTEyFEGA 0.13
15 DyHDYDSPyEDRNTEWFEGA 0.14
16 DysDYDSPyEDRNTEWFEGA 0.15
17 DyMDYDyPyEDRNTEyyEGA 0.16
18 DyHDYDNPyEDRNTEyFEGA 0.16
19 DyHDYDSPyEDRNTDyyEGA 0.16
20 DyHDYDyPyEDRNTEWyEGA 0.16
21 DysDYDNPyEDRNTEyFEGA 0.17
22 DysDYDyPyEDRNTEWyEGA 0.17
23 DysDYDSPyEDRNTDyyEGA 0.17
24 DyMDYDSPyEDRNTEWyEGA 0.18
25 DyHDYDSPyEDRNTFyyEGA 0.18
26 DysDYDSPyEDRNTFyyEGA 0.19
27 DyMDYDyPyEDRNTEyFEGA 0.2
28 DyMDYDNPyEDRNTEyyEGA 0.2
29 DyHDYDSPyEDRNTDyFEGA 0.21
30 DyHDYDNPyEDRNTEWyEGA 0.21
31 DyHDYDyPyEDRNTEWFEGA 0.21
32 DysDYDNPyEDRNTEWyEGA 0.21
33 DysDYDSPyEDRNTDyFEGA 0.21
34 DysDYDyPyEDRNTEWFEGA 0.22
35 DyHDYDSPyEDRNTEyyEGG 0.22
36 DyHDYDyPyEDRNTDyyEGA 0.23
37 DysDYDSPyEDRNTEyyEGG 0.23
38 DyMDYDSPyEDRNTEWFEGA 0.23
39 DysDYDSPyEDRNTFyFEGA 0.23
40 DyHDYDSPyEDRNTFyFEGA 0.23
41 DyHDYDSPyEDRNTEyyEGP 0.24
42 DysDYDSPyEDRNTEyyEGP 0.24
43 DysDYDyPyEDRNTDyyEGA 0.24
44 DyMDYDSPyEDRNTDyyEGA 0.25
45 DyMDYDNPyEDRNTEyFEGA 0.25
46 DyMDYDyPyEDRNTEWyEGA 0.25
47 DyHDYDNPyEDRNTEWFEGA 0.25
48 DyHDYDyPyEDRNTFyyEGA 0.25
49 DyHDYDSPyEDRNTDWyEGA 0.26
50 DysDYDNPyEDRNTEWFEGA 0.26
51 DysDYDSPyEDRNTDWyEGA 0.26
52 DysDYDyPyEDRNTFyyEGA 0.26
53 DysDWDSPyEDRNTEyyEGA 0.26
54 DyHDWDSPyEDRNTEyyEGA 0.26
55 DysDYDSPyEDRNTEyFEGG 0.27
56 DyHDYDSPyEDRNTEyFEGG 0.27
57 DyMDYDSPyEDRNTFyyEGA 0.27
58 DysDYDSPyEDRNTFWyEGA 0.28
59 DyHDYDSPyEDRNTEyFEGP 0.28
60 DyHDYDSPyEDRNTFWyEGA 0.28
61 DyHDYDNPyEDRNTDyyEGA 0.28
62 DysDYDNPyEDRNTDyyEGA 0.28
63 DyHDYDyPyEDRNTDyFEGA 0.28
64 DysDYDyPyEDRNTDyFEGA 0.28
65 DysDYDSPyEDRNTEyFEGP 0.29
66 DyHDYDyPyEDRNTEyyEGG 0.29
67 DyHDYDNPyEDRNTFyyEGA 0.29
68 DyHDWDSPyEDRNTEyFEGA 0.3
69 DyMDYDNPyEDRNTEWyEGA 0.3
70 DysDYDyPyEDRNTEyyEGG 0.3
71 DyMDYDyPyEDRNTEWFEGA 0.3
72 DysDYDNPyEDRNTFyyEGA 0.3
73 DysDYDyPyEDRNTFyFEGA 0.3
74 DyHDYDyPyEDRNTFyFEGA 0.3
75 DyHDYDSPyEDRNTDWFEGA 0.3
76 DyMDYDSPyEDRNTDyFEGA 0.3
77 DysDYDyPyEDRNTEyyEGP 0.31
78 DysDWDSPyEDRNTEyFEGA 0.31
79 DyHDYDSPyEDRNTEWyEGG 0.31
80 DyHDYDyPyEDRNTEyyEGP 0.31
81 DysDYDSPyEDRNTDWFEGA 0.31
82 DyHDYDSPyEDRNSEyyEGA 0.31
83 DyMDYDSPyEDRNTEyyEGG 0.31
84 DysDYDSPyEDRNSEyyEGA 0.31
85 DyHDYDSPyEDRNTFWFEGA 0.32
86 DyMDYDSPyEDRNTFyFEGA 0.32
87 DysDYDSPyEDRNTEWyEGG 0.32
88 DyMDYDyPyEDRNTDyyEGA 0.32
89 DyHDYDNPyEDRNTDyFEGA 0.32
90 DyHDWDyPyEDRNTEyyEGA 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DyHDYDyPyEDRNTEyyEGA

8.28

-38.68

-30.4
2 DysDYDyPyEDRNTEyyEGA

9.38

-39.7

-30.32
3 DyHDYDNPyEDRNTEyyEGA

7.95

-38.23

-30.28
4 DyHDYDSPyEDRNTFyyEGA

9.72

-39.42

-29.7
5 DyHDYDNPyEDRNTEyFEGA

7.88

-37.38

-29.5
6 DyMDYDSPyEDRNTEyFEGA

7.42

-36.53

-29.11
7 DyHDYDyPyEDRNTEWyEGA

7.63

-36.72

-29.09
8 DyHDYDSPyEDRNTDyFEGA

8.57

-37.59

-29.02
9 DysDYDSPyEDRNTEWFEGA

9.11

-38.1

-28.99
10 DyMDYDNPyEDRNTEyyEGA

8.08

-36.98

-28.9
11 DyHDYDSPyEDRNTEyFEGA

9.61

-38.25

-28.64
12 DysDYDyPyEDRNTEWyEGA

8.13

-36.63

-28.5
13 DyHDYDyPyEDRNTEyFEGA

8.8

-37.18

-28.38
14 DysDYDyPyEDRNTEyFEGA

8.68

-36.78

-28.1
15 DyMDYDyPyEDRNTEyFEGA

8.32

-36.12

-27.8
16 DyHDYDSPyEDRNTEWFEGA

8.21

-35.5

-27.29
17 DysDYDNPyEDRNTEyyEGA

9.61

-36.87

-27.26
18 DysDYDSPyEDRNTEyFEGA

10.01

-37.19

-27.18
19 DyMDYDSPyEDRNTEyyEGA

7.67

-34.39

-26.72
20 DyHDYDNPyEDRNTEWyEGA

8.27

-34.9

-26.63
21 DyHDYDSPyEDRNTEWyEGA

9.98

-36.15

-26.17
22 DyHDYDSPyEDRNTEyyEGA

8.33

-34.33

-26.0
23 DyMDYDyPyEDRNTEyyEGA

8.84

-34.78

-25.94
24 DyMDYDSPyEDRNTEWyEGA

9.5

-35.43

-25.93
25 DysDYDSPyEDRNTDyyEGA

9.6

-35.43

-25.83
26 DysDYDNPyEDRNTEyFEGA

9.41

-35.0

-25.59
27 DysDYDSPyEDRNTEWyEGA

10.35

-35.3

-24.95
28 DysDYDSPyEDRNTFyyEGA

10.99

-35.75

-24.76
29 DysDYDSPyEDRNTEyyEGA

9.77

-34.41

-24.64
30 DyHDYDSPyEDRNTDyyEGA

8.74

-33.31

-24.57

 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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