Predicted ligand sequences


ADAN-name: 1U7E2.PDB (view again the scoring matrix)

PDB name: [1U7E.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G R R R R G A I S A E V Y T E E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala
G
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    

(Help)

Intraclash 6.818 ΔGbinding -26.302
TOTAL
 -19.484
Backbone Hb -7.975 Cis_bond 0.000
Sidechain Hb -11.100 Torsional clash 2.598
Van der Waals -17.994 Backbone clash 0.264
Electrostatics -13.398 Helix dipole -0.032
Solvation Polar 30.112 Water bridges 0.107
Solvation Hyd -20.976 Disulfide 0.000
VdW clashes 0.839 Electrost. Kon -6.014
Entropy sc 7.992 Part.cov.bonds 0.000
Entropy mc

9.539

 ΔGstability

-41.304
       

Predicted ligand sequences for template [1U7E2.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).
 
  1U7E2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRHRRRHFLFMIWYsP 0.0
2 RRHRRRHFLFMIWYsy 0.01
3 RRHRRRHFLFMIWYsM 0.06
4 RRHRRRHFLFRIWYsy 0.11
5 RRHRRRHFLFRIWYsP 0.11
6 RRHRRRHFLSMIWYsP 0.12
7 RRHRRRHFLSMIWYsy 0.13
8 RRHRRRHFLFRIWYsM 0.17
9 RRHRRRHFLSMIWYsM 0.18
10 RRHRRRHFPFMIWYsP 0.18
11 RRHRRRHFPFMIWYsy 0.19
12 RRHRRRHKLFMIWYsP 0.21
13 RRHRRRHKLFMIWYsy 0.22
14 RRHRRRHFLSRIWYsy 0.23
15 RRHRRRHFLSRIWYsP 0.23
16 RRHRRRHFLFKIWYsP 0.24
17 RRHRRRHFPFMIWYsM 0.24
18 RRHRRRHFLFKIWYsy 0.25
19 RRHRRRHKLFMIWYsM 0.27
20 RRHRRRHFPFRIWYsP 0.28
21 RRHRRRHFPFRIWYsy 0.29
22 RRHRRRHFLSRIWYsM 0.29
23 RRHRRRHFLFKIWYsM 0.3
24 RRHRRRHFPSMIWYsP 0.3
25 RRHRRRHyLFMIWYsP 0.31
26 RRHRRRHFPSMIWYsy 0.31
27 RRHRRRHKLFRIWYsP 0.31
28 RRHRRRHyLFMIWYsy 0.32
29 RRHRRRHKLFRIWYsy 0.32
30 RRHRRRHFLyMIWYsP 0.32
31 RWHRRRHFLFMIWYsP 0.33
32 RRHRRRHKLSMIWYsP 0.33
33 RRHRRRHFLyMIWYsy 0.33
34 RWHRRRHFLFMIWYsy 0.34
35 RRHRRRHFPFRIWYsM 0.34
36 RRHRRRHKLSMIWYsy 0.34
37 RRHRRRHFLSKIWYsP 0.36
38 RRHRRRHFPSMIWYsM 0.36
39 RRHRRRHyLFMIWYsM 0.37
40 RRHRRRHFLSKIWYsy 0.37
41 RRHRRRHKLFRIWYsM 0.37
42 RRHRRRHFLyMIWYsM 0.38
43 RWHRRRHFLFMIWYsM 0.39
44 RRHRRRHKLSMIWYsM 0.39
45 RRHRRRHKPFMIWYsP 0.39
46 RRHRRRHKPFMIWYsy 0.39
47 RRHRRRHFLFMIWYIy 0.4
48 RRHRRRHFLFMIWYIP 0.4
49 RRHRRRHFPSRIWYsP 0.4
50 RRHRRRHFPSRIWYsy 0.41
51 RRHRRRHFPFKIWYsP 0.42
52 RRHRRRHyLFRIWYsy 0.42
53 RRHRRRHyLFRIWYsP 0.42
54 RRHRRRHFLyRIWYsP 0.43
55 RRHRRRHFLSKIWYsM 0.43
56 RRHRRRHFPFKIWYsy 0.43
57 RRHRRRHyLSMIWYsP 0.43
58 RWHRRRHFLFRIWYsP 0.43
59 RRHRRRHKLSRIWYsP 0.43
60 RRHRRRHFLyRIWYsy 0.44
61 RRHRRRHyLSMIWYsy 0.44
62 RWHRRRHFLFRIWYsy 0.44
63 RRHRRRHKLSRIWYsy 0.44
64 RRHRRRHKLFKIWYsP 0.45
65 RWHRRRHFLSMIWYsP 0.45
66 RRHRRRHKPFMIWYsM 0.45
67 RRHRRRHFLFMIWYIM 0.46
68 RRHRRRHKLFKIWYsy 0.46
69 RRHRRRHFLFMIWYKP 0.46
70 RWHRRRHFLSMIWYsy 0.46
71 RRHRRRHFPSRIWYsM 0.47
72 RRHRRRHFLFMIWYKy 0.47
73 RRHRRRHFPFKIWYsM 0.48
74 RRHRRRHyLFRIWYsM 0.48
75 RRHRRRHFLyRIWYsM 0.49
76 RRHRRRHKPFRIWYsP 0.49
77 RWHRRRHFLFRIWYsM 0.49
78 RRHRRRHyPFMIWYsP 0.49
79 RRHRRRHFLFRIWYIP 0.5
80 RRHRRRHFPyMIWYsP 0.5
81 RRHRRRHKPFRIWYsy 0.5
82 RRHRRRHyLSMIWYsM 0.5
83 RRHRRRHyPFMIWYsy 0.5
84 RRHRRRHKLSRIWYsM 0.5
85 RRHRRRHFLFRIWYIy 0.51
86 RRHRRRHFPyMIWYsy 0.51
87 RRHRRRHKLFKIWYsM 0.51
88 RWHRRRHFPFMIWYsy 0.51
89 RWHRRRHFPFMIWYsP 0.51
90 RRHRRRHKPSMIWYsP 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRHRRRHFLFRIWYsM

11.07

-36.93

-25.86
2 RRHRRRHFLSMIWYsM

10.91

-36.4

-25.49
3 RRHRRRHFPFMIWYsy

9.68

-34.18

-24.5
4 RRHRRRHFPFRIWYsy

9.25

-33.62

-24.37
5 RRHRRRHKLFMIWYsP

15.23

-37.14

-21.91
6 RRHRRRHFLSMIWYsP

12.31

-33.15

-20.84
7 RRHRRRHFLFRIWYsP

8.92

-29.67

-20.75
8 RRHRRRHFLSMIWYsy

10.47

-31.15

-20.68
9 RRHRRRHFLyMIWYsP

11.26

-31.75

-20.49
10 RRHRRRHFPFRIWYsP

8.39

-28.66

-20.27
11 RRHRRRHFLFMIWYsM

9.5

-28.84

-19.34
12 RRHRRRHFLSRIWYsy

11.29

-30.6

-19.31
13 RRHRRRHKLFMIWYsy

13.79

-33.01

-19.22
14 RRHRRRHFPFMIWYsP

9.49

-28.66

-19.17
15 RRHRRRHyLFMIWYsy

13.52

-32.3

-18.78
16 RRHRRRHFPFMIWYsM

7.0

-25.49

-18.49
17 RRHRRRHKLFMIWYsM

12.44

-30.51

-18.07
18 RRHRRRHFPSMIWYsy

6.67

-24.27

-17.6
19 RRHRRRHFLFMIWYsy

10.21

-27.27

-17.06
20 RRHRRRHFLSRIWYsP

16.82

-33.41

-16.59
21 RRHRRRHFLSRIWYsM

13.99

-29.85

-15.86
22 RRHRRRHFLFKIWYsP

11.24

-26.74

-15.5
23 RRHRRRHFLFKIWYsy

12.0

-26.88

-14.88
24 RRHRRRHFPSMIWYsP

6.78

-21.49

-14.71
25 RRHRRRHFLFRIWYsy

10.69

-24.13

-13.44
26 RRHRRRHKLFRIWYsP

10.93

-23.78

-12.85
27 RRHRRRHFLFKIWYsM

9.33

-21.97

-12.64
28 RRHRRRHyLFMIWYsP

19.83

-31.78

-11.95
29 RRHRRRHFLFMIWYsP

10.91

-18.9

-7.99
30 RRHRRRHKLFRIWYsy

13.47

-13.71

-0.24

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER