Predicted ligand sequences


ADAN-name: 1I7X4.PDB (view again the scoring matrix)

PDB name: [1I7X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E S D Q D Q D Y D Y L N E W G N R F K K
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
 G
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 9.593 ΔGbinding -20.852
TOTAL
 -11.259
Backbone Hb -1.775 Cis_bond 0.000
Sidechain Hb -9.475 Torsional clash 0.338
Van der Waals -10.964 Backbone clash 0.358
Electrostatics -4.883 Helix dipole 0.023
Solvation Polar 14.756 Water bridges -0.479
Solvation Hyd -15.420 Disulfide 0.000
VdW clashes 0.809 Electrost. Kon -3.437
Entropy sc 7.727 Part.cov.bonds 0.000
Entropy mc

1.928

 ΔGstability

96.345
       

Predicted ligand sequences for template [1I7X4.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).
 
  1I7X4.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWDDERpyPWMMFWyRFFFK 0.0
2 DWDDERpyPWMMKWyRFFFK 0.01
3 DWDWERpyPWMMFWyRFFFK 0.01
4 DWDWERpyPWMMKWyRFFFK 0.02
5 DWDDERyyPWMMFWyRFFFK 0.03
6 DWDWERyyPWMMFWyRFFFK 0.04
7 DWDDERpyPWMMPWyRFFFK 0.04
8 DWDDERyyPWMMKWyRFFFK 0.05
9 DWDWERpyPWMMPWyRFFFK 0.05
10 DWDWERyyPWMMKWyRFFFK 0.05
11 DWDDERpyPWMMFWFRFFFK 0.06
12 DWDDERpyPWMMFWyRFWFK 0.06
13 DWDDERpyPWMMFWMRFFFK 0.07
14 DWDWERpyPWMMFWyRFWFK 0.07
15 DWDDERpHPWMMFWyRFFFK 0.07
16 DWDDERpyPWMMKWyRFWFK 0.07
17 DWDDERpyPWMMKWFRFFFK 0.07
18 DWDWERpyPWMMFWFRFFFK 0.07
19 DWDDERpyPWMMKWMRFFFK 0.08
20 DWDDERpHPWMMKWyRFFFK 0.08
21 DWDWERpyPWMMKWFRFFFK 0.08
22 DWDDERyyPWMMPWyRFFFK 0.08
23 DWDWERpyPWMMKWyRFWFK 0.08
24 DWDWERpHPWMMFWyRFFFK 0.08
25 DWDWERyyPWMMPWyRFFFK 0.08
26 DWDWERpyPWMMFWMRFFFK 0.08
27 DWDDERyyPWMMFWFRFFFK 0.09
28 DWDsERpyPWMMFWyRFFFK 0.09
29 DWDWERpHPWMMKWyRFFFK 0.09
30 DWDWERpyPWMMKWMRFFFK 0.09
31 DWDsERpyPWMMKWyRFFFK 0.1
32 DWDDERpyPWMMFWyPFFFK 0.1
33 DWDDERyyPWMMFWyRFWFK 0.1
34 DWDWERyyPWMMFWFRFFFK 0.1
35 DWDDERyHPWMMFWyRFFFK 0.1
36 DWDDERyyPWMMFWMRFFFK 0.1
37 DWDDERyyPWMMKWFRFFFK 0.1
38 DWDDERpyPWMMPWFRFFFK 0.1
39 DWDDERpyPWMsFWyRFFFK 0.1
40 DWDWERyyPWMMFWyRFWFK 0.11
41 DWDDERpyPWMMPWMRFFFK 0.11
42 DWDWERyyPWMMKWFRFFFK 0.11
43 DWDDERpyPWMMFWyKFFFK 0.11
44 DWDWERpyPWMMPWFRFFFK 0.11
45 DWDDERyHPWMMKWyRFFFK 0.11
46 DWDWERyHPWMMFWyRFFFK 0.11
47 DWDWERpyPWMMFWyPFFFK 0.11
48 DWDDERpHPWMMPWyRFFFK 0.11
49 DWDDERyyPWMMKWyRFWFK 0.11
50 DWDDERyyPWMMKWMRFFFK 0.11
51 DWDWERpyPWMsFWyRFFFK 0.11
52 DWDDERpyPWMsKWyRFFFK 0.11
53 DWDWERpyPWMMPWyRFWFK 0.11
54 DWDDERpyPWMMPWyRFWFK 0.11
55 DWDWERyyPWMMFWMRFFFK 0.11
56 DWDDERpyPWMMKWyPFFFK 0.11
57 DWDDERpyPWMMKWyKFFFK 0.12
58 DWDWERyHPWMMKWyRFFFK 0.12
59 DWDWERpyPWMsKWyRFFFK 0.12
60 DWDWERpHPWMMPWyRFFFK 0.12
61 DWDWERyyPWMMKWyRFWFK 0.12
62 DWDWERpyPWMMFWyKFFFK 0.12
63 DWDWERpyPWMMKWyPFFFK 0.12
64 DWDWERyyPWMMKWMRFFFK 0.12
65 DWDWERpyPWMMPWMRFFFK 0.12
66 DWDDERpyPWMMFWFRFWFK 0.12
67 DWDDERyyPWMMFWyPFFFK 0.13
68 DWDWERpHPWMMFWFRFFFK 0.13
69 DWDDERpyPWMMKWFRFWFK 0.13
70 DWDWERpyPWMMKWyKFFFK 0.13
71 DWDDERyyPWMMPWFRFFFK 0.13
72 DWDDERpHPWMMFWMRFFFK 0.13
73 DWDWERpyPWMMFWFRFWFK 0.13
74 DWDDERpyPWMIFWyRFFFK 0.13
75 DWDDERpyPWMMFWMRFWFK 0.13
76 DWDsERyyPWMMFWyRFFFK 0.13
77 DWDDERpHPWMMFWyRFWFK 0.13
78 DWDDERpHPWMMFWFRFFFK 0.13
79 DWDsERpyPWMMPWyRFFFK 0.13
80 DWDWERpyPWMMFWMRFWFK 0.14
81 DWDWERpHPWMMFWyRFWFK 0.14
82 DWDDERyyPWMsFWyRFFFK 0.14
83 DWDDERyyPWMMPWMRFFFK 0.14
84 DWDDERpyPWMsPWyRFFFK 0.14
85 DWDDERpHPWMMKWFRFFFK 0.14
86 DWDDERyyPWMMKWyPFFFK 0.14
87 DWDDERyyPWMMPWyRFWFK 0.14
88 DWDDERyyPWMMFWyKFFFK 0.14
89 DWDDERVyPWMMFWyRFFFK 0.14
90 DWDDERyHPWMMPWyRFFFK 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWDDERpyPWMMKWMRFFFK

12.18

-17.31

-5.13
2 DWDWERpyPWMMKWMRFFFK

9.88

-14.66

-4.78
3 DWDsERpyPWMMFWyRFFFK

8.02

-12.72

-4.7
4 DWDWERyyPWMMFWyRFFFK

7.84

-12.22

-4.38
5 DWDDERyyPWMMFWFRFFFK

6.28

-8.5

-2.22
6 DWDWERyyPWMMKWyRFFFK

7.22

-9.42

-2.2
7 DWDWERpyPWMMFWMRFFFK

9.26

-11.26

-2.0
8 DWDDERpyPWMMFWyRFFFK

6.03

-7.59

-1.56
9 DWDDERyyPWMMFWyRFFFK

7.87

-9.26

-1.39
10 DWDDERyyPWMMPWyRFFFK

6.1

-7.48

-1.38
11 DWDDERpyPWMMFWyRFWFK

9.56

-10.59

-1.03
12 DWDWERyyPWMMPWyRFFFK

6.9

-7.61

-0.71
13 DWDWERpyPWMMKWFRFFFK

12.6

-13.17

-0.57
14 DWDDERpyPWMMKWFRFFFK

8.51

-8.81

-0.3
15 DWDWERpyPWMMPWyRFFFK

12.59

-12.69

-0.1
16 DWDDERpyPWMMFWMRFFFK

9.98

-9.92

0.06
17 DWDDERpHPWMMFWyRFFFK

8.6

-8.4

0.2
18 DWDWERpHPWMMKWyRFFFK

16.3

-16.01

0.29
19 DWDDERpyPWMMPWyRFFFK

10.81

-10.32

0.49
20 DWDWERpyPWMMFWyRFFFK

12.1

-11.55

0.55
21 DWDDERyyPWMMKWyRFFFK

9.78

-9.22

0.56
22 DWDDERpyPWMMKWyRFFFK

8.45

-7.64

0.81
23 DWDWERpyPWMMKWyRFFFK

9.58

-8.4

1.18
24 DWDWERpyPWMMFWFRFFFK

13.24

-11.34

1.9
25 DWDDERpyPWMMFWFRFFFK

13.52

-9.47

4.05
26 DWDDERpHPWMMKWyRFFFK

11.43

-7.31

4.12
27 DWDWERpyPWMMKWyRFWFK

15.84

-9.52

6.32
28 DWDDERpyPWMMKWyRFWFK

6.72

0.08

6.8
29 DWDWERpHPWMMFWyRFFFK

17.07

-10.22

6.85
30 DWDWERpyPWMMFWyRFWFK

16.46

-2.35

14.11

 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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