Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-21.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
 A G
G
 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 1.934 ΔGbinding -1.447
TOTAL
 0.487
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.138
Van der Waals -1.890 Backbone clash 0.070
Electrostatics 0.044 Helix dipole 0.000
Solvation Polar 1.730 Water bridges -0.044
Solvation Hyd -2.772 Disulfide 0.000
VdW clashes 0.402 Electrost. Kon 0.023
Entropy sc 0.678 Part.cov.bonds 0.000
Entropy mc

1.517

 ΔGstability

30.770
       

Predicted ligand sequences for model [LSB1_1CKA-21.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).
 
  LSB1_1CKA-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWRKGIPTIR 0.0
2 QWRKGIPTIR 0.01
3 WWIKGIPTIR 0.01
4 WWRIGIPTIR 0.01
5 QWIKGIPTIR 0.02
6 WWIIGIPTIR 0.02
7 WWRKGFPTIR 0.03
8 WWIKGFPTIR 0.03
9 WWQKGIPTIR 0.03
10 QWRIGIPTIR 0.03
11 QWIIGIPTIR 0.03
12 WWRIGFPTIR 0.04
13 WWQIGIPTIR 0.04
14 QWQKGIPTIR 0.04
15 FWRKGIPTIR 0.04
16 QWRKGFPTIR 0.04
17 WWIIGFPTIR 0.05
18 QWIKGFPTIR 0.05
19 FWIKGIPTIR 0.05
20 QWQIGIPTIR 0.05
21 FWIIGIPTIR 0.06
22 QWIIGFPTIR 0.06
23 WWQKGFPTIR 0.06
24 FWRIGIPTIR 0.06
25 QWRIGFPTIR 0.06
26 WWQIGFPTIR 0.07
27 WWIKGYPTIR 0.07
28 QWQKGFPTIR 0.07
29 WWRKGYPTIR 0.07
30 FWRKGFPTIR 0.07
31 FWQKGIPTIR 0.07
32 FWIKGFPTIR 0.08
33 WWRIGYPTIR 0.08
34 QWQIGFPTIR 0.08
35 QWRKGYPTIR 0.08
36 QWIKGYPTIR 0.08
37 WWIIGYPTIR 0.08
38 FWIIGFPTIR 0.09
39 QWRIGYPTIR 0.09
40 FWRIGFPTIR 0.09
41 FWQIGIPTIR 0.09
42 WWQKGYPTIR 0.1
43 QWIIGYPTIR 0.1
44 FWQKGFPTIR 0.1
45 FWIKGYPTIR 0.11
46 WWQIGYPTIR 0.11
47 FWRKGYPTIR 0.11
48 QWQKGYPTIR 0.11
49 FWQIGFPTIR 0.12
50 FWRIGYPTIR 0.12
51 QWQIGYPTIR 0.12
52 FWIIGYPTIR 0.13
53 FWQKGYPTIR 0.14
54 FWQIGYPTIR 0.15
55 WWIKGIPTIK 0.17
56 WWRKGIPTIK 0.17
57 QWRKGIPTIK 0.18
58 QWIKGIPTIK 0.18
59 WWIIGIPTIK 0.18
60 WWRIGIPTIK 0.18
61 QWRIGIPTIK 0.19
62 WWRKGFPTIK 0.2
63 WWIKGFPTIK 0.2
64 WWQKGIPTIK 0.2
65 QWIIGIPTIK 0.2
66 WWIIGFPTIK 0.21
67 WWRIGFPTIK 0.21
68 FWIKGIPTIK 0.21
69 WWQIGIPTIK 0.21
70 QWQKGIPTIK 0.21
71 WWRKHIPTIR 0.21
72 FWRKGIPTIK 0.21
73 QWRKGFPTIK 0.21
74 QWIKGFPTIK 0.21
75 FWRIGIPTIK 0.22
76 QWQIGIPTIK 0.22
77 QWRIGFPTIK 0.22
78 WWIKHIPTIR 0.22
79 QWRKHIPTIR 0.23
80 FWIIGIPTIK 0.23
81 QWIIGFPTIK 0.23
82 WWQKGFPTIK 0.23
83 QWIKHIPTIR 0.23
84 WWRKGYPTIK 0.23
85 WWRIHIPTIR 0.23
86 WWIIHIPTIR 0.23
87 WWQIGFPTIK 0.24
88 WWRIGYPTIK 0.24
89 FWQKGIPTIK 0.24
90 WWIKGYPTIK 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWRIGIPTIR

7.55

-5.25

2.3
2 FWIIGIPTIR

7.62

-5.13

2.49
3 WWRKGIPTIR

6.74

-4.24

2.5
4 FWIKGIPTIR

7.03

-4.35

2.68
5 FWRKGFPTIR

7.55

-4.82

2.73
6 FWRKGIPTIR

6.91

-4.07

2.84
7 WWRIGIPTIR

8.99

-6.1

2.89
8 WWQKGIPTIR

7.36

-4.24

3.12
9 WWQKGFPTIR

6.68

-3.48

3.2
10 WWQIGIPTIR

7.35

-4.13

3.22
11 WWRKGFPTIR

8.63

-5.23

3.4
12 WWIIGFPTIR

8.98

-5.41

3.57
13 WWRIGFPTIR

9.17

-5.41

3.76
14 WWIKGYPTIR

8.8

-4.32

4.48
15 WWIIGIPTIR

9.51

-4.88

4.63
16 WWQIGFPTIR

10.23

-5.59

4.64
17 WWRKGYPTIR

9.77

-5.04

4.73
18 WWIKGFPTIR

8.91

-3.85

5.06
19 QWIIGFPTIR

10.59

-5.5

5.09
20 WWIKGIPTIR

9.01

-3.67

5.34
21 QWQIGIPTIR

9.15

-3.6

5.55
22 QWQKGFPTIR

8.46

-2.74

5.72
23 QWQKGIPTIR

8.77

-2.99

5.78
24 QWRKGFPTIR

9.66

-3.83

5.83
25 QWIKGIPTIR

9.26

-3.34

5.92
26 QWRIGFPTIR

9.72

-3.65

6.07
27 QWIKGFPTIR

8.71

-2.59

6.12
28 QWIIGIPTIR

10.49

-4.11

6.38
29 QWRIGIPTIR

10.04

-3.49

6.55
30 QWRKGIPTIR

9.69

-3.06

6.63

 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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