Predicted ligand sequences


ADAN-name: 1GG22.PDB (view again the scoring matrix)

PDB name: [1GG2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G A Q R S E R K K W I H C F E G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala
G
 A
A
A
A
A
 A
A
A
 A A A
A
 A A
G

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 6.380 ΔGbinding -14.629
TOTAL
 -8.249
Backbone Hb -3.900 Cis_bond 0.000
Sidechain Hb -6.763 Torsional clash 0.807
Van der Waals -10.247 Backbone clash 0.887
Electrostatics -6.518 Helix dipole 0.000
Solvation Polar 15.632 Water bridges -0.432
Solvation Hyd -13.191 Disulfide 0.000
VdW clashes 1.279 Electrost. Kon -3.757
Entropy sc 8.191 Part.cov.bonds 0.000
Entropy mc

4.270

 ΔGstability

125.574
       

Predicted ligand sequences for template [1GG22.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).
 
  1GG22.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRHRGRPKRHSWMWES 0.0
2 YRHRGRPKRFSWMWES 0.02
3 YRHRGRDKRHSWMWES 0.07
4 YRHRGRPKRWSWMWES 0.07
5 YRHRGRPKRHSKMWES 0.09
6 YRHRGRDKRFSWMWES 0.1
7 YRHRGRPKRFSKMWES 0.11
8 YRHRGRDKRWSWMWES 0.14
9 YRHRGRPKRWSKMWES 0.16
10 YRHRGRPKRHSWMWDS 0.16
11 YRHRGRDKRHSKMWES 0.16
12 YRHRGRPKRFSWMWDS 0.18
13 YRHRGRDKRFSKMWES 0.19
14 YRHRGRQKRHSWMWES 0.19
15 YRHRGRPKRHSWMWMS 0.21
16 YRHRGRQKRFSWMWES 0.21
17 YRHRGRDKRHSWMWDS 0.23
18 YRHRGRPKRWSWMWDS 0.23
19 YRHRGRPKRFSWMWMS 0.23
20 YRHRGRDKRWSKMWES 0.23
21 YRHRGRDKRFSWMWDS 0.25
22 YRHRGRPKRHSKMWDS 0.25
23 YRHRGRQKRWSWMWES 0.26
24 YRHRGRPKRFSKMWDS 0.27
25 YRHRGRQKRHSKMWES 0.28
26 YRHRGRDKRHSWMWMS 0.28
27 YRHRGRPKRHSWMyES 0.28
28 YRHRGRPKRWSWMWMS 0.28
29 YNHRGRPKRHSWMWES 0.29
30 YRHRGRPKRHSWMFES 0.29
31 YRHRGRQKRFSKMWES 0.3
32 YRHRGRDKRFSWMWMS 0.3
33 YRHRGRPKRHSKMWMS 0.3
34 YRWRGRPKRHSWMWES 0.3
35 YRHRGRDKRWSWMWDS 0.3
36 YRHRGRPKRFSWMyES 0.31
37 YNHRGRPKRFSWMWES 0.32
38 YRHRGRDKRHSKMWDS 0.32
39 YRHRGRPKRFSKMWMS 0.32
40 YRHRGRPKRWSKMWDS 0.32
41 YRWRGRPKRFSWMWES 0.32
42 YRHRGRPKRFSWMFES 0.32
43 YFHRGRPKRHSWMWES 0.34
44 YRHRGRQKRHSWMWDS 0.34
45 YRHRGRPKRHSRMWES 0.34
46 YRHRGRDKRFSKMWDS 0.34
47 YRHRGRDKRWSWMWMS 0.35
48 YRHRGRQKRWSKMWES 0.35
49 YRHRGRPKRFSRMWES 0.36
50 YRHRGRPKRWSWMyES 0.36
51 YRHRGRDKRHSWMyES 0.36
52 YRHRGRPKRWSKMWMS 0.37
53 YRHRGRPKRWSWMFES 0.37
54 YFHRGRPKRFSWMWES 0.37
55 YRWRGRPKRWSWMWES 0.37
56 YNHRGRDKRHSWMWES 0.37
57 YNHRGRPKRWSWMWES 0.37
58 YRHRGRDKRHSKMWMS 0.37
59 YRHRGRDKRHSWMFES 0.37
60 YRHRGRQKRFSWMWDS 0.37
61 YRWRGRDKRHSWMWES 0.38
62 YRHRGRPKRHSKMyES 0.38
63 YRHRGRPKRHSKMFES 0.38
64 YRHRGRDKRFSWMyES 0.38
65 YNHRGRPKRHSKMWES 0.38
66 YNHRGRDKRFSWMWES 0.39
67 YRHRGRDKRWSKMWDS 0.39
68 YRWRGRPKRHSKMWES 0.39
69 YRHRGRDKRFSWMFES 0.39
70 YRHRGRDKRFSKMWMS 0.39
71 YRHRGRQKRHSWMWMS 0.39
72 YRWRGRDKRFSWMWES 0.4
73 YRHRGRPKRFSKMyES 0.4
74 YRWRGRPKRFSKMWES 0.41
75 YRHRGRDKRHSRMWES 0.41
76 YRHRGRPKRFSKMFES 0.41
77 YNHRGRPKRFSKMWES 0.41
78 YRHRGRPKRWSRMWES 0.41
79 YFHRGRPKRWSWMWES 0.42
80 YRHRGRQKRFSWMWMS 0.42
81 YRHRGRQKRWSWMWDS 0.42
82 YFHRGRDKRHSWMWES 0.42
83 YRHRGRDKRWSWMyES 0.43
84 YRHRGRDKRFSRMWES 0.43
85 YRHRGRQKRHSKMWDS 0.43
86 YFHRGRPKRHSKMWES 0.43
87 YNHRGRDKRWSWMWES 0.44
88 YRHRGRPKRHSWMyDS 0.44
89 YFHRGRDKRFSWMWES 0.44
90 YRHRGRDKRWSKMWMS 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRHRGRPKRHSWMWMS

6.4

-26.49

-20.09
2 YRHRGRPKRFSWMWES

7.03

-25.23

-18.2
3 YRHRGRDKRHSWMWES

6.36

-23.36

-17.0
4 YRHRGRDKRHSKMWES

8.05

-23.77

-15.72
5 YRHRGRDKRHSWMWMS

9.5

-24.75

-15.25
6 YRHRGRPKRHSWMWES

8.67

-23.83

-15.16
7 YRHRGRQKRHSKMWES

7.03

-21.84

-14.81
8 YNHRGRPKRHSWMWES

7.79

-22.38

-14.59
9 YRHRGRQKRWSWMWES

10.11

-24.67

-14.56
10 YRHRGRPKRHSWMWDS

9.28

-23.82

-14.54
11 YRHRGRQKRHSWMWES

7.51

-22.01

-14.5
12 YRHRGRDKRFSKMWES

6.71

-21.19

-14.48
13 YRHRGRPKRHSKMWDS

7.91

-22.36

-14.45
14 YRHRGRDKRHSWMWDS

7.34

-21.52

-14.18
15 YRHRGRPKRHSWMFES

7.39

-21.52

-14.13
16 YRHRGRDKRFSWMWDS

9.22

-22.57

-13.35
17 YRHRGRPKRHSKMWES

9.7

-22.92

-13.22
18 YRHRGRPKRWSWMWDS

11.22

-24.18

-12.96
19 YRHRGRPKRHSWMyES

10.57

-23.41

-12.84
20 YRHRGRQKRFSWMWES

11.51

-24.3

-12.79
21 YRHRGRPKRFSKMWDS

6.58

-19.06

-12.48
22 YRHRGRPKRWSKMWES

7.91

-20.19

-12.28
23 YRHRGRDKRWSKMWES

12.66

-23.97

-11.31
24 YRHRGRDKRFSWMWES

7.19

-18.21

-11.02
25 YRHRGRDKRWSWMWES

11.16

-21.81

-10.65
26 YRHRGRPKRFSWMWDS

11.49

-21.42

-9.93
27 YRHRGRPKRWSWMWMS

12.55

-22.43

-9.88
28 YRHRGRPKRFSWMWMS

12.57

-20.7

-8.13
29 YRHRGRPKRWSWMWES

13.05

-20.4

-7.35
30 YRHRGRPKRFSKMWES

15.39

-16.31

-0.92

 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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