Predicted ligand sequences


ADAN-name: 1SVH2.PDB (view again the scoring matrix)

PDB name: [1SVH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala
A
A
A
A
 A
A
A
A
A
G
A
A
G
 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 4.791 ΔGbinding -29.396
TOTAL
 -24.605
Backbone Hb -5.213 Cis_bond 0.000
Sidechain Hb -9.575 Torsional clash 1.001
Van der Waals -17.290 Backbone clash 0.224
Electrostatics -12.035 Helix dipole 0.172
Solvation Polar 26.155 Water bridges -0.563
Solvation Hyd -20.912 Disulfide 0.000
VdW clashes 0.304 Electrost. Kon -4.690
Entropy sc 7.390 Part.cov.bonds 0.000
Entropy mc

5.859

 ΔGstability

-40.830
       

Predicted ligand sequences for template [1SVH2.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).
 
  1SVH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERYKRRRRMRRRYKRHPFW 0.0
2 ERYRRRRRMRRRYKRHPFW 0.01
3 ERYHRRRRMRRRYKRHPFW 0.02
4 DRYKRRRRMRRRYKRHPFW 0.04
5 DRYRRRRRMRRRYKRHPFW 0.04
6 DRYHRRRRMRRRYKRHPFW 0.06
7 FRYKRRRRMRRRYKRHPFW 0.06
8 FRYRRRRRMRRRYKRHPFW 0.07
9 FRYHRRRRMRRRYKRHPFW 0.08
10 ERYKRRRRMRRRYYRHPFW 0.1
11 ERYRRRRRMRRRYYRHPFW 0.1
12 ERYHRRRRMRRRYYRHPFW 0.12
13 ERYKRRRRMRRRYKRHPIW 0.13
14 DRYKRRRRMRRRYYRHPFW 0.13
15 ERYRRRRRMRRRYKRHPIW 0.14
16 DRYRRRRRMRRRYYRHPFW 0.14
17 DRYHRRRRMRRRYYRHPFW 0.15
18 FRYKRRRRMRRRYYRHPFW 0.15
19 ERYHRRRRMRRRYKRHPIW 0.15
20 ERYKRRRRMRRRYRRHPFW 0.15
21 ERYRRRRRMRRRYRRHPFW 0.16
22 FRYRRRRRMRRRYYRHPFW 0.16
23 DRYKRRRRMRRRYKRHPIW 0.17
24 ERFKRRRRMRRRYKRHPFW 0.17
25 ERYHRRRRMRRRYRRHPFW 0.17
26 DRYRRRRRMRRRYKRHPIW 0.17
27 FRYHRRRRMRRRYYRHPFW 0.17
28 ERYKRRRKMRRRYKRHPFW 0.18
29 ERFRRRRRMRRRYKRHPFW 0.18
30 DRYKRRRRMRRRYRRHPFW 0.18
31 FRYKRRRRMRRRYKRHPIW 0.19
32 ERYRRRRKMRRRYKRHPFW 0.19
33 ERYKRRRRMRWRYKRHPFW 0.19
34 DRYRRRRRMRRRYRRHPFW 0.19
35 DRYHRRRRMRRRYKRHPIW 0.19
36 ERYKRRRHMRRRYKRHPFW 0.19
37 ERFHRRRRMRRRYKRHPFW 0.19
38 ERYHRRRKMRRRYKRHPFW 0.2
39 ERYRRRRHMRRRYKRHPFW 0.2
40 ERYRRRRRMRWRYKRHPFW 0.2
41 FRYRRRRRMRRRYKRHPIW 0.2
42 DRYHRRRRMRRRYRRHPFW 0.2
43 ERYRRRRRMKRRYKRHPFW 0.21
44 ERYKRRRRMKRRYKRHPFW 0.21
45 FRYKRRRRMRRRYRRHPFW 0.21
46 FRYHRRRRMRRRYKRHPIW 0.21
47 ERYHRRRRMRWRYKRHPFW 0.21
48 DRFKRRRRMRRRYKRHPFW 0.21
49 DRFRRRRRMRRRYKRHPFW 0.21
50 ERYHRRRHMRRRYKRHPFW 0.21
51 DRYKRRRHMRRRYKRHPFW 0.22
52 DRYKRRRKMRRRYKRHPFW 0.22
53 DRYRRRRKMRRRYKRHPFW 0.22
54 ERYKFRRRMRRRYKRHPFW 0.22
55 DRYKRRRRMRWRYKRHPFW 0.22
56 FRYRRRRRMRRRYRRHPFW 0.22
57 ERYRRRRRMRRRYYRHPIW 0.23
58 DRFHRRRRMRRRYKRHPFW 0.23
59 ERYKRRRRMRRRYYRHPIW 0.23
60 FRFKRRRRMRRRYKRHPFW 0.23
61 DRYRRRRHMRRRYKRHPFW 0.23
62 ERYRFRRRMRRRYKRHPFW 0.23
63 ERYHRRRRMKRRYKRHPFW 0.23
64 DRYRRRRRMRWRYKRHPFW 0.23
65 FRYHRRRRMRRRYRRHPFW 0.23
66 DRYHRRRKMRRRYKRHPFW 0.24
67 ERYHFRRRMRRRYKRHPFW 0.24
68 DRYHRRRHMRRRYKRHPFW 0.24
69 DRYHRRRRMRWRYKRHPFW 0.24
70 FRYKRRRKMRRRYKRHPFW 0.24
71 FRFRRRRRMRRRYKRHPFW 0.24
72 DRYKRRRRMKRRYKRHPFW 0.24
73 ERYHRRRRMRRRYYRHPIW 0.25
74 FRYRRRRHMRRRYKRHPFW 0.25
75 FRYRRRRKMRRRYKRHPFW 0.25
76 DRYRRRRRMKRRYKRHPFW 0.25
77 FRYKRRRRMRWRYKRHPFW 0.25
78 FRFHRRRRMRRRYKRHPFW 0.25
79 FRYKRRRHMRRRYKRHPFW 0.25
80 DRYKFRRRMRRRYKRHPFW 0.26
81 FRYHRRRKMRRRYKRHPFW 0.26
82 DRYHRRRRMKRRYKRHPFW 0.26
83 DRYRFRRRMRRRYKRHPFW 0.26
84 FRYRRRRRMRWRYKRHPFW 0.26
85 DRYKRRRRMRRRYYRHPIW 0.26
86 DRYRRRRRMRRRYYRHPIW 0.27
87 FRYHRRRRMRWRYKRHPFW 0.27
88 FRYKRRRRMKRRYKRHPFW 0.27
89 FRYRRRRRMKRRYKRHPFW 0.27
90 ERFKRRRRMRRRYYRHPFW 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERYKRRRRMRRRYKRHPIW

9.3

-41.61

-32.31
2 FRYHRRRRMRRRYKRHPFW

5.69

-37.78

-32.09
3 ERYRRRRRMRRRYYRHPFW

6.62

-38.6

-31.98
4 DRYKRRRRMRRRYKRHPIW

8.97

-40.47

-31.5
5 ERYRRRRRMRRRYKRHPFW

8.84

-40.2

-31.36
6 ERYRRRRRMRRRYRRHPFW

5.9

-36.96

-31.06
7 FRYKRRRRMRRRYKRHPFW

9.34

-40.21

-30.87
8 ERYHRRRRMRRRYKRHPIW

7.19

-37.98

-30.79
9 DRYKRRRRMRRRYRRHPFW

9.74

-40.23

-30.49
10 DRYHRRRRMRRRYKRHPFW

8.8

-38.18

-29.38
11 ERYHRRRRMRRRYKRHPFW

8.75

-37.84

-29.09
12 ERYKRRRRMRRRYKRHPFW

9.02

-37.99

-28.97
13 FRYRRRRRMRRRYKRHPFW

9.15

-37.67

-28.52
14 ERFKRRRRMRRRYKRHPFW

9.18

-36.79

-27.61
15 FRYHRRRRMRRRYYRHPFW

9.56

-37.07

-27.51
16 ERYKRRRRMRRRYRRHPFW

8.63

-36.1

-27.47
17 ERFRRRRRMRRRYKRHPFW

8.8

-36.02

-27.22
18 FRYRRRRRMRRRYYRHPFW

9.06

-35.71

-26.65
19 DRYHRRRRMRRRYYRHPFW

8.98

-35.57

-26.59
20 DRYRRRRRMRRRYKRHPIW

5.75

-32.24

-26.49
21 DRYRRRRRMRRRYYRHPFW

8.87

-35.17

-26.3
22 FRYKRRRRMRRRYYRHPFW

9.39

-35.66

-26.27
23 ERYKRRRKMRRRYKRHPFW

9.96

-35.96

-26.0
24 ERYKRRRRMRRRYYRHPFW

9.62

-34.83

-25.21
25 DRYRRRRRMRRRYKRHPFW

9.51

-34.62

-25.11
26 ERYHRRRRMRRRYRRHPFW

9.37

-34.44

-25.07
27 ERYRRRRRMRRRYKRHPIW

5.81

-30.4

-24.59
28 ERYHRRRRMRRRYYRHPFW

9.79

-33.36

-23.57
29 DRYKRRRRMRRRYKRHPFW

11.96

-31.83

-19.87
30 DRYKRRRRMRRRYYRHPFW

12.01

-30.09

-18.08

 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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