Predicted ligand sequences


ADAN-name: 1QWF2.PDB (view again the scoring matrix)

PDB name: [1QWF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V S L A R R P L P P L P
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala 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 18.161 ΔGbinding -4.810
TOTAL
 13.351
Backbone Hb -1.960 Cis_bond 0.000
Sidechain Hb -2.330 Torsional clash 0.690
Van der Waals -12.280 Backbone clash 4.200
Electrostatics -2.450 Helix dipole 0.000
Solvation Polar 12.640 Water bridges -1.260
Solvation Hyd -15.940 Disulfide 0.000
VdW clashes 8.990 Electrost. Kon -1.270
Entropy sc 5.470 Part.cov.bonds 0.000
Entropy mc

4.900

 ΔGstability

75.350
       

Predicted ligand sequences for template [1QWF2.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).
 
  1QWF2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERAGRWGLGGMF 0.0
2 ERAGRWTLGGMF 0.01
3 ERAGRWILGGMF 0.02
4 ERAGHWGLGGMF 0.04
5 ERAGKWGLGGMF 0.05
6 ERAGHWTLGGMF 0.05
7 ERAGHWILGGMF 0.06
8 ERAGKWTLGGMF 0.06
9 ERAGKWILGGMF 0.07
10 RRAGRWGLGGMF 0.09
11 ERAGRHGLGGMF 0.09
12 ERAGRGGLGGMF 0.09
13 RRAGRWTLGGMF 0.1
14 ERAGRGTLGGMF 0.1
15 ERAGRHTLGGMF 0.1
16 EWAGRWGLGGMF 0.11
17 RRAGRWILGGMF 0.11
18 ERAGRGILGGMF 0.11
19 ERAGRHILGGMF 0.11
20 EWAGRWTLGGMF 0.12
21 ERAGRWGLGPMF 0.12
22 RRAGHWGLGGMF 0.13
23 EWAGRWILGGMF 0.13
24 ERAGHHGLGGMF 0.13
25 ERAGHGGLGGMF 0.13
26 ERAGRWTLGPMF 0.13
27 ERAGKGGLGGMF 0.14
28 ERAGRWGLGTMF 0.14
29 ERAGKHGLGGMF 0.14
30 RRAGKWGLGGMF 0.14
31 ERAGHGTLGGMF 0.14
32 RRAGHWTLGGMF 0.14
33 ERCGRWGLGGMF 0.14
34 ERAGHHTLGGMF 0.14
35 ERAGRWILGPMF 0.14
36 ERAGKGTLGGMF 0.15
37 ERAGHHILGGMF 0.15
38 EWAGHWGLGGMF 0.15
39 ERAGRWTLGTMF 0.15
40 ERCGRWTLGGMF 0.15
41 RRAGKWTLGGMF 0.15
42 RRAGHWILGGMF 0.15
43 FRAGRWGLGGMF 0.15
44 ERAGHGILGGMF 0.15
45 ERAGKHTLGGMF 0.15
46 EKAGRWGLGGMF 0.16
47 RRAGKWILGGMF 0.16
48 ERAGHWGLGPMF 0.16
49 ERCGRWILGGMF 0.16
50 ERAGRWILGTMF 0.16
51 ERAGKGILGGMF 0.16
52 FRAGRWTLGGMF 0.16
53 ERAGKHILGGMF 0.16
54 EWAGKWGLGGMF 0.16
55 EWAGHWTLGGMF 0.16
56 EWAGKWTLGGMF 0.17
57 ERCGHWGLGGMF 0.17
58 ERAGKWGLGPMF 0.17
59 ERAGHWTLGPMF 0.17
60 FRAGRWILGGMF 0.17
61 EWAGHWILGGMF 0.17
62 EKAGRWTLGGMF 0.17
63 EWAGKWILGGMF 0.18
64 RRAGRGGLGGMF 0.18
65 ERCGKWGLGGMF 0.18
66 ERAGHWILGPMF 0.18
67 ERAGHWGLGTMF 0.18
68 ERAGKWTLGPMF 0.18
69 ERCGHWTLGGMF 0.18
70 EKAGRWILGGMF 0.18
71 RRAGRHGLGGMF 0.18
72 ERDGRWGLGGMF 0.18
73 ERCGHWILGGMF 0.19
74 ERDGRWTLGGMF 0.19
75 RRAGRHTLGGMF 0.19
76 FRAGHWGLGGMF 0.19
77 ERAGKWGLGTMF 0.19
78 ERAGKWILGPMF 0.19
79 RRAGRGTLGGMF 0.19
80 ERCGKWTLGGMF 0.19
81 ERAGHWTLGTMF 0.19
82 ERDGRWILGGMF 0.2
83 FRAGKWGLGGMF 0.2
84 RRAGRHILGGMF 0.2
85 RRAGRGILGGMF 0.2
86 ERAGKWTLGTMF 0.2
87 EKAGHWGLGGMF 0.2
88 ERAGHWILGTMF 0.2
89 EWAGRHGLGGMF 0.2
90 ERCGKWILGGMF 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRAGRWTLGGMF

5.96

-7.87

-1.91
2 ERAGHHGLGGMF

7.97

-8.31

-0.34
3 ERAGRWTLGPMF

9.48

-9.69

-0.21
4 RRAGRWILGGMF

9.0

-8.25

0.75
5 ERAGHWTLGGMF

8.64

-7.63

1.01
6 ERAGKWTLGGMF

7.24

-6.06

1.18
7 ERAGRHILGGMF

8.17

-6.39

1.78
8 RRAGKWGLGGMF

9.23

-7.24

1.99
9 EWAGRWILGGMF

8.64

-6.46

2.18
10 EWAGRWGLGGMF

7.8

-5.53

2.27
11 ERAGKHGLGGMF

7.92

-5.56

2.36
12 RRAGHWGLGGMF

10.54

-8.16

2.38
13 RRAGRWGLGGMF

11.43

-8.88

2.55
14 ERAGRWTLGGMF

9.22

-6.43

2.79
15 ERAGKGGLGGMF

7.79

-4.61

3.18
16 ERAGRWILGGMF

9.34

-6.11

3.23
17 ERAGRGGLGGMF

8.33

-5.02

3.31
18 ERAGRHTLGGMF

9.0

-5.61

3.39
19 ERAGRHGLGGMF

9.5

-6.07

3.43
20 ERAGHWGLGGMF

8.91

-5.42

3.49
21 ERAGKWILGGMF

9.86

-5.58

4.28
22 ERAGKWGLGGMF

9.79

-5.49

4.3
23 ERAGHWILGGMF

10.11

-5.59

4.52
24 ERAGRGTLGGMF

11.39

-6.87

4.52
25 ERAGRWGLGPMF

10.28

-5.68

4.6
26 ERAGRWGLGTMF

10.84

-6.13

4.71
27 EWAGRWTLGGMF

12.01

-6.09

5.92
28 ERAGRWGLGGMF

11.63

-4.71

6.92
29 ERAGRGILGGMF

11.31

-4.05

7.26
30 ERAGHGGLGGMF

11.82

-4.32

7.5

 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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