Predicted ligand sequences


ADAN-name: 1GNG2.PDB (view again the scoring matrix)

PDB name: [1GNG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R L L Q Q L V L S G N L I K E A V R R L
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
G
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 5.357 ΔGbinding -30.169
TOTAL
 -24.812
Backbone Hb -2.413 Cis_bond 0.000
Sidechain Hb -2.712 Torsional clash 1.209
Van der Waals -14.874 Backbone clash 0.523
Electrostatics -2.387 Helix dipole 0.061
Solvation Polar 10.039 Water bridges -0.321
Solvation Hyd -26.828 Disulfide 0.000
VdW clashes 2.230 Electrost. Kon -1.273
Entropy sc 4.953 Part.cov.bonds 0.000
Entropy mc

2.149

 ΔGstability

14.483
       

Predicted ligand sequences for template [1GNG2.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).
 
  1GNG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SRMRRFLHQGHFIRWSFHKy 0.0
2 HRMRRFLHQGHFIRWSFHKy 0.01
3 GRMRRFLHQGHFIRWSFHKy 0.01
4 SRMRRFLKQGHFIRWSFHKy 0.02
5 SRMRRFLHQGHFIRWSFHKF 0.02
6 SRMRRFLRQGHFIRWSFHKy 0.03
7 GRMRRFLKQGHFIRWSFHKy 0.03
8 HRMRRFLHQGHFIRWSFHKF 0.03
9 GRMRRFLHQGHFIRWSFHKF 0.03
10 SRMRRFLHQGHMIRWSFHKy 0.03
11 HRMRRFLKQGHFIRWSFHKy 0.03
12 SRMRRFLKQGHFIRWSFHKF 0.04
13 SRMRRFIHQGHFIRWSFHKy 0.04
14 SRMRRFLHQGHLIRWSFHKy 0.04
15 GRMRRFLHQGHMIRWSFHKy 0.04
16 SRMRRFLHQGHMIRWSFHKF 0.04
17 HRMRRFLHQGHMIRWSFHKy 0.04
18 GRMRRFLRQGHFIRWSFHKy 0.04
19 HRMRRFLRQGHFIRWSFHKy 0.04
20 HRMRRFIHQGHFIRWSFHKy 0.05
21 SRMRRFLRQGHFIRWSFHKF 0.05
22 HRMRRFLHQGHMIRWSFHKF 0.05
23 GRMRRFIHQGHFIRWSFHKy 0.05
24 GRMRRFLKQGHFIRWSFHKF 0.05
25 HRMRRFLHQGHLIRWSFHKy 0.05
26 SRMRRFLHQGHFIRWSFFKy 0.05
27 HRMRRFLKQGHFIRWSFHKF 0.05
28 SRMRRFLKQGHMIRWSFHKy 0.05
29 GRMRRFLHQGHFIRWSFFKy 0.06
30 SRMRRFIKQGHFIRWSFHKy 0.06
31 GRMRRFLKQGHMIRWSFHKy 0.06
32 HRMRRFLHQGHFIRWSFFKy 0.06
33 SRMRRFIHQGHFIRWSFHKF 0.06
34 GRMRRFLRQGHFIRWSFHKF 0.06
35 HRMRRFLRQGHFIRWSFHKF 0.06
36 SRMRRFLKQGHLIRWSFHKy 0.06
37 SRMRRFLHQGHLIRWSFHKF 0.06
38 GRMRRFLHQGHMIRWSFHKF 0.06
39 SRMRRYLHQGHFIRWSFHKy 0.06
40 GRMRRFLHQGHLIRWSFHKy 0.06
41 SRMRRFLRQGHMIRWSFHKy 0.06
42 HRMRRFLKQGHMIRWSFHKy 0.06
43 SRWRRFLHQGHFIRWSFHKy 0.07
44 HRMRRFIHQGHFIRWSFHKF 0.07
45 HRMRRFLRQGHMIRWSFHKy 0.07
46 HRMRRFIKQGHFIRWSFHKy 0.07
47 HRMRRFLKQGHLIRWSFHKy 0.07
48 SRMRRFIHQGHMIRWSFHKy 0.07
49 GRMRRFIKQGHFIRWSFHKy 0.07
50 SRMRRFLRQGHMIRWSFHKF 0.07
51 GRMRRFIHQGHFIRWSFHKF 0.07
52 GRMRRFLRQGHMIRWSFHKy 0.07
53 SRMRRYLHQGHFIRWSFHKF 0.07
54 SRMRRFLKQGHFIRWSFFKy 0.07
55 HRMRRYLHQGHFIRWSFHKy 0.07
56 GRMRRFLHQGHLIRWSFHKF 0.07
57 SRMRRFLRQGHLIRWSFHKy 0.07
58 SRMRRFIRQGHFIRWSFHKy 0.07
59 HRMRRFLHQGHLIRWSFHKF 0.07
60 SRMRRFLHQGHFIRWSFFKF 0.07
61 SRMRKFLHQGHFIRWSFHKy 0.07
62 GRMRRYLHQGHFIRWSFHKy 0.07
63 HRMRRFLKQGHMIRWSFHKF 0.07
64 SRMRRFLKQGHMIRWSFHKF 0.07
65 HRMRRFLRQGHLIRWSFHKy 0.08
66 GRMRRFIRQGHFIRWSFHKy 0.08
67 HRMRRFLKQGHFIRWSFFKy 0.08
68 SRMRRYLHQGHMIRWSFHKy 0.08
69 GRMRRFLKQGHMIRWSFHKF 0.08
70 HRMRKFLHQGHFIRWSFHKy 0.08
71 HRMRRFLRQGHMIRWSFHKF 0.08
72 GRMRKFLHQGHFIRWSFHKy 0.08
73 SRMRRFIKQGHFIRWSFHKF 0.08
74 GRMRRFIHQGHMIRWSFHKy 0.08
75 GRMRRFLHQGHFIRWSFFKF 0.08
76 GRMRRFLKQGHFIRWSFFKy 0.08
77 SRMRRFLHQGHMIRWSFFKy 0.08
78 HRMRRFIRQGHFIRWSFHKy 0.08
79 HRMRRFLHQGHFIRWSFFKF 0.08
80 GRWRRFLHQGHFIRWSFHKy 0.08
81 SRMRRFLKQGHLIRWSFHKF 0.08
82 SRMRRYLKQGHFIRWSFHKy 0.08
83 SRMpRFLHQGHFIRWSFHKy 0.08
84 GRMRRFLKQGHLIRWSFHKy 0.08
85 SRMRRFIHQGHLIRWSFHKy 0.08
86 HRMRRFIHQGHMIRWSFHKy 0.08
87 GRMRRFLRQGHLIRWSFHKy 0.08
88 SRMRRFLRQGHFIRWSFFKy 0.08
89 HRWRRFLHQGHFIRWSFHKy 0.08
90 SRMRRYLRQGHFIRWSFHKy 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SRMRRFLHQGHMIRWSFHKy

4.01

-35.63

-31.62
2 SRMRRFLHQGHMIRWSFHKF

4.01

-35.39

-31.38
3 GRMRRFLHQGHMIRWSFHKy

5.91

-35.99

-30.08
4 HRMRRFLHQGHMIRWSFHKy

7.09

-36.08

-28.99
5 HRMRRFLHQGHLIRWSFHKy

6.63

-34.9

-28.27
6 HRMRRFLHQGHMIRWSFHKF

6.71

-34.25

-27.54
7 SRMRRFLKQGHMIRWSFHKy

7.64

-33.34

-25.7
8 HRMRRFIHQGHFIRWSFHKy

5.96

-31.36

-25.4
9 GRMRRFLKQGHFIRWSFHKy

4.61

-29.97

-25.36
10 HRMRRFLKQGHFIRWSFHKy

4.59

-29.78

-25.19
11 SRMRRFIKQGHFIRWSFHKy

4.35

-29.38

-25.03
12 GRMRRFLHQGHFIRWSFFKy

5.22

-29.15

-23.93
13 SRMRRFIHQGHFIRWSFHKy

4.13

-27.81

-23.68
14 GRMRRFLHQGHFIRWSFHKF

5.08

-28.08

-23.0
15 HRMRRFLKQGHFIRWSFHKF

5.26

-28.05

-22.79
16 SRMRRFLKQGHFIRWSFHKF

5.91

-28.68

-22.77
17 GRMRRFIHQGHFIRWSFHKy

6.13

-28.8

-22.67
18 SRMRRFLRQGHFIRWSFHKy

5.23

-27.8

-22.57
19 SRMRRFLHQGHFIRWSFFKy

5.84

-28.4

-22.56
20 SRMRRFLRQGHFIRWSFHKF

7.68

-29.42

-21.74
21 GRMRRFLRQGHFIRWSFHKy

6.29

-27.98

-21.69
22 HRMRRFLRQGHFIRWSFHKy

7.34

-27.81

-20.47
23 SRMRRFLKQGHFIRWSFHKy

6.12

-25.99

-19.87
24 SRMRRFLHQGHLIRWSFHKy

8.51

-28.17

-19.66
25 HRMRRFLHQGHFIRWSFHKy

8.49

-27.79

-19.3
26 HRMRRFLHQGHFIRWSFHKF

5.99

-25.03

-19.04
27 GRMRRFLHQGHFIRWSFHKy

13.51

-27.69

-14.18
28 SRMRRFLHQGHFIRWSFHKF

7.89

-20.09

-12.2
29 SRMRRFLHQGHFIRWSFHKy

12.92

-23.02

-10.1
30 GRMRRFLKQGHFIRWSFHKF

14.83

-20.98

-6.15

 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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