Predicted ligand sequences


ADAN-name: 1ATP2.PDB (view again the scoring matrix)

PDB name: [1ATP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
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
G
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 6.502 ΔGbinding -33.381
TOTAL
 -26.879
Backbone Hb -7.163 Cis_bond 0.000
Sidechain Hb -14.113 Torsional clash 1.726
Van der Waals -19.697 Backbone clash 0.968
Electrostatics -12.618 Helix dipole 0.066
Solvation Polar 28.228 Water bridges -0.230
Solvation Hyd -24.338 Disulfide 0.000
VdW clashes 2.422 Electrost. Kon -5.840
Entropy sc 10.056 Part.cov.bonds 0.000
Entropy mc

8.118

 ΔGstability

11.859
       

Predicted ligand sequences for template [1ATP2.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).
 
  1ATP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRspWFWHRRRMYKKWHIHy 0.0
2 DRspMFWHRRRMYKKWHIHy 0.01
3 DRssWFWHRRRMYKKWHIHy 0.02
4 DRspLFWHRRRMYKKWHIHy 0.02
5 DRspWFWHRRRMYKKFHIHy 0.02
6 DRssMFWHRRRMYKKWHIHy 0.03
7 DRspMFWHRRRMYKKFHIHy 0.03
8 DRspWFWHRRRDYKKWHIHy 0.03
9 DRspMFWHRRRDYKKWHIHy 0.03
10 DRspMFYHRRRMYKKWHIHy 0.04
11 DRssWFWHRRRMYKKFHIHy 0.04
12 DRssLFWHRRRMYKKWHIHy 0.04
13 DRspWFYHRRRMYKKWHIHy 0.04
14 DRspLFWHRRRMYKKFHIHy 0.04
15 DRssMFWHRRRMYKKFHIHy 0.05
16 DRspLFWHRRRDYKKWHIHy 0.05
17 DRspMFWHRRRDYKKFHIHy 0.05
18 DRssWFWHRRRDYKKWHIHy 0.05
19 DRspWFWHRRRDYKKFHIHy 0.05
20 DRssWFYHRRRMYKKWHIHy 0.06
21 DRspLFYHRRRMYKKWHIHy 0.06
22 yRspMFWHRRRMYKKWHIHy 0.06
23 DRssMFWHRRRDYKKWHIHy 0.06
24 yRspWFWHRRRMYKKWHIHy 0.06
25 DRspMFYHRRRMYKKFHIHy 0.06
26 DRssLFWHRRRMYKKFHIHy 0.06
27 DRspWFYHRRRMYKKFHIHy 0.06
28 DRssLFWHRRRDYKKWHIHy 0.07
29 DRssMFYHRRRMYKKWHIHy 0.07
30 DRspMFYHRRRDYKKWHIHy 0.07
31 DRsyWFWHRRRMYKKWHIHy 0.07
32 DRsyMFWHRRRMYKKWHIHy 0.07
33 DRspLFYHRRRMYKKFHIHy 0.07
34 DRspWFWHRRRMYRKWHIHy 0.07
35 DRssWFWHRRRDYKKFHIHy 0.07
36 yRspLFWHRRRMYKKWHIHy 0.07
37 DRspMFWHRRRMYRKWHIHy 0.07
38 DRspWFYHRRRDYKKWHIHy 0.07
39 DRspLFWHRRRDYKKFHIHy 0.07
40 DRspMFRHRRRMYKKWHIHy 0.08
41 DRspWFRHRRRMYKKWHIHy 0.08
42 yRspMFWHRRRMYKKFHIHy 0.08
43 yRssWFWHRRRMYKKWHIHy 0.08
44 yRspWFWHRRRMYKKFHIHy 0.08
45 DRssWFYHRRRMYKKFHIHy 0.08
46 DRssLFYHRRRMYKKWHIHy 0.08
47 DRssMFWHRRRDYKKFHIHy 0.08
48 yRssMFWHRRRMYKKWHIHy 0.08
49 DRspLFWHRRRMYRKWHIHy 0.08
50 DRspLFYHRRRDYKKWHIHy 0.08
51 yRspMFWHRRRDYKKWHIHy 0.09
52 DRsyLFWHRRRMYKKWHIHy 0.09
53 DRssWFWHRRRMYRKWHIHy 0.09
54 DRspMFYHRRRDYKKFHIHy 0.09
55 DRspMFWHRRRMYRKFHIHy 0.09
56 DRsyWFWHRRRMYKKFHIHy 0.09
57 yRspWFYHRRRMYKKWHIHy 0.09
58 DRssLFWHRRRDYKKFHIHy 0.09
59 DRssMFYHRRRMYKKFHIHy 0.09
60 DRssWFYHRRRDYKKWHIHy 0.09
61 DRsyMFWHRRRMYKKFHIHy 0.09
62 yRspWFWHRRRDYKKWHIHy 0.09
63 DRspWFYHRRRDYKKFHIHy 0.09
64 DRssMFWHRRRMYRKWHIHy 0.09
65 yRspLFWHRRRMYKKFHIHy 0.09
66 DRssMFYHRRRDYKKWHIHy 0.09
67 DRspWFWHRRRMYRKFHIHy 0.09
68 yRspLFWHRRRDYKKWHIHy 0.1
69 DRspWFWHRRRDYRKWHIHy 0.1
70 DRssWFRHRRRMYKKWHIHy 0.1
71 DRspWFRHRRRMYKKFHIHy 0.1
72 DRspLFYHRRRDYKKFHIHy 0.1
73 DRsyMFWHRRRDYKKWHIHy 0.1
74 yRssMFWHRRRMYKKFHIHy 0.1
75 DRspMFRHRRRMYKKFHIHy 0.1
76 DRspMFWHRRRDYRKWHIHy 0.1
77 DRssLFYHRRRMYKKFHIHy 0.1
78 yRssWFWHRRRMYKKFHIHy 0.1
79 DRspLFWHRRRMYRKFHIHy 0.1
80 DRspLFRHRRRMYKKWHIHy 0.1
81 DRsyWFWHRRRDYKKWHIHy 0.1
82 yRssLFWHRRRMYKKWHIHy 0.1
83 yRspMFYHRRRMYKKWHIHy 0.1
84 DRssMFYHRRRDYKKFHIHy 0.11
85 DRssWFWHRRRMYRKFHIHy 0.11
86 DRsyMFYHRRRMYKKWHIHy 0.11
87 DRssWFYHRRRDYKKFHIHy 0.11
88 DRsyWFYHRRRMYKKWHIHy 0.11
89 sRspWFWHRRRMYKKWHIHy 0.11
90 DRspMFYHRRRMYRKWHIHy 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRspLFWHRRRMYKKFHIHy

7.51

-37.94

-30.43
2 DRssWFYHRRRMYKKWHIHy

6.86

-35.04

-28.18
3 DRspLFWHRRRDYKKWHIHy

7.55

-35.42

-27.87
4 yRspMFWHRRRMYKKWHIHy

7.29

-33.85

-26.56
5 DRssMFYHRRRMYKKWHIHy

7.37

-33.77

-26.4
6 DRspMFWHRRRDYKKFHIHy

7.54

-33.41

-25.87
7 yRspWFWHRRRMYKKWHIHy

8.29

-34.01

-25.72
8 DRspWFWHRRRMYKKWHIHy

7.6

-33.08

-25.48
9 DRspMFYHRRRMYKKWHIHy

7.76

-32.68

-24.92
10 DRspLFWHRRRMYKKWHIHy

7.67

-32.39

-24.72
11 DRssWFWHRRRDYKKWHIHy

7.53

-31.66

-24.13
12 DRspMFWHRRRDYKKWHIHy

8.17

-32.29

-24.12
13 DRspMFYHRRRMYKKFHIHy

7.69

-31.58

-23.89
14 DRspWFYHRRRMYKKFHIHy

8.73

-32.49

-23.76
15 DRssLFWHRRRMYKKFHIHy

7.07

-30.77

-23.7
16 DRspMFYHRRRDYKKWHIHy

8.09

-31.45

-23.36
17 DRssMFWHRRRMYKKWHIHy

12.1

-35.43

-23.33
18 DRssLFWHRRRDYKKWHIHy

8.01

-31.24

-23.23
19 DRspWFWHRRRDYKKWHIHy

7.82

-30.83

-23.01
20 DRssWFWHRRRMYKKFHIHy

7.78

-30.74

-22.96
21 DRspWFYHRRRMYKKWHIHy

7.53

-30.15

-22.62
22 DRssLFWHRRRMYKKWHIHy

7.5

-29.62

-22.12
23 DRspWFWHRRRMYKKFHIHy

7.79

-29.34

-21.55
24 DRspLFYHRRRMYKKWHIHy

8.04

-29.42

-21.38
25 DRssWFWHRRRMYKKWHIHy

9.78

-30.58

-20.8
26 DRspWFWHRRRDYKKFHIHy

8.13

-28.73

-20.6
27 DRssMFWHRRRMYKKFHIHy

7.59

-27.13

-19.54
28 DRspMFWHRRRMYKKFHIHy

8.04

-27.12

-19.08
29 DRssMFWHRRRDYKKWHIHy

7.49

-25.43

-17.94
30 DRspMFWHRRRMYKKWHIHy

7.94

-25.65

-17.71

 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