Predicted ligand sequences


ADAN-name: 1Z562.PDB (view again the scoring matrix)

PDB name: [1Z56.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E T R D E R T R A M M V T L L N E K K K
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
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    

(Help)

Intraclash 22.118 ΔGbinding -6.606
TOTAL
 15.512
Backbone Hb -1.738 Cis_bond 0.000
Sidechain Hb -2.150 Torsional clash 0.781
Van der Waals -9.273 Backbone clash 1.624
Electrostatics -0.556 Helix dipole 0.000
Solvation Polar 8.099 Water bridges -0.065
Solvation Hyd -14.149 Disulfide 0.000
VdW clashes 3.652 Electrost. Kon -0.541
Entropy sc 3.810 Part.cov.bonds 0.000
Entropy mc

5.524

 ΔGstability

561.555
       

Predicted ligand sequences for template [1Z562.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).
 
  1Z562.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDsRFNsFIMRRFIMRNHWR 0.0
2 yDsRFNsFIMRRFLMRNHWR 0.01
3 yDsRFNsFIMRRRIMRNHWR 0.04
4 yDsRFNsFIMRRRLMRNHWR 0.05
5 yDsRFNsFIMRRFIWRNHWR 0.07
6 yDsRFNsFIMRRFLWRNHWR 0.08
7 yDsRFNsFIMRRRIWRNHWR 0.11
8 yDsRHNsFIMRRFIMRNHWR 0.12
9 yDsRFNsFIMRRRLWRNHWR 0.12
10 yDsRFNsFIMRRFIMRNHWW 0.12
11 yDsRHNsFIMRRFLMRNHWR 0.13
12 yDsRFNsFIMRRFLMRNHWW 0.13
13 yDsRHNsFIMRRRIMRNHWR 0.16
14 yDsRFNsFIMRRRIMRNHWW 0.16
15 yDsRFNsFIMRRRLMRNHWW 0.17
16 YDsRFNsFIMRRFIMRNHWR 0.17
17 yDsRHNsFIMRRRLMRNHWR 0.17
18 YDsRFNsFIMRRFLMRNHWR 0.18
19 yDsRFNsFIMRRFIMRNHWH 0.18
20 yDsRFNsFIMRRFLMRNHWH 0.19
21 MDsRFNsFIMRRFIMRNHWR 0.19
22 yDsRFNsFIMRRFIWRNHWW 0.19
23 yDsRHNsFIMRRFLWRNHWR 0.19
24 yDsRHNsFIMRRFIWRNHWR 0.19
25 yDsRFNsFIMRRFLWRNHWW 0.2
26 MDsRFNsFIMRRFLMRNHWR 0.2
27 yDsRINsFIMRRFIMRNHWR 0.2
28 YDsRFNsFIMRRRIMRNHWR 0.21
29 yDsRINsFIMRRFLMRNHWR 0.21
30 YDsRFNsFIMRRRLMRNHWR 0.22
31 yDsRFNsFIMRRRIMRNHWH 0.22
32 yDsRFNsFIMRRRLMRNHWH 0.23
33 yDsRHNsFIMRRRIWRNHWR 0.23
34 yDsRFNsFIMRRRIWRNHWW 0.23
35 YDsRFNsFIMRRFIWRNHWR 0.24
36 yDsRFNsAIMRRFIMRNHWR 0.24
37 MDsRFNsFIMRRRIMRNHWR 0.24
38 yDsRHNsFIMRRRLWRNHWR 0.24
39 yDsRHNsFIMRRFIMRNHWW 0.24
40 yDsRINsFIMRRRIMRNHWR 0.24
41 MDsRFNsFIMRRRLMRNHWR 0.24
42 yDsRFNsFIMRRRLWRNHWW 0.24
43 yDsRHNsFIMRRFLMRNHWW 0.25
44 yDsRFNsFIMRRFIWRNHWH 0.25
45 YDsRFNsFIMRRFLWRNHWR 0.25
46 yDsRINsFIMRRRLMRNHWR 0.25
47 yDsRFNsFIMRRFIyRNHWR 0.25
48 yDsRFNsAIMRRFLMRNHWR 0.25
49 yDsRFNsFIMRRFLyRNHWR 0.25
50 MDsRFNsFIMRRFIWRNHWR 0.26
51 yDsRFNsFIMRRFLWRNHWH 0.26
52 yDsRINsFIMRRFIWRNHWR 0.27
53 MDsRFNsFIMRRFLWRNHWR 0.27
54 yDsRFNsAIMRRRIMRNHWR 0.28
55 yDsRINsFIMRRFLWRNHWR 0.28
56 yDsRHNsFIMRRRIMRNHWW 0.28
57 YDsRFNsFIMRRRIWRNHWR 0.28
58 yDsRFNsFRMRRFIMRNHWR 0.28
59 YDsRFNsFIMRRRLWRNHWR 0.29
60 YDsRFNsFIMRRFIMRNHWW 0.29
61 yDsRFNsFIMRRRIyRNHWR 0.29
62 yDsRFNsFIMRRRLyRNHWR 0.29
63 yDsRFNsFRMRRFLMRNHWR 0.29
64 YDsRHNsFIMRRFIMRNHWR 0.29
65 yDsRFNsFIMRRRIWRNHWH 0.29
66 yDsRFNsAIMRRRLMRNHWR 0.29
67 yDsRHNsFIMRRRLMRNHWW 0.29
68 YDsRFNsFIMRRFLMRNHWW 0.3
69 yDsRHNsFIMRRFIMRNHWH 0.3
70 yDsRFNsFIMRRRLWRNHWH 0.3
71 YDsRHNsFIMRRFLMRNHWR 0.3
72 yDsRINsFIMRRRIWRNHWR 0.31
73 yDsRHNsFIMRRFLMRNHWH 0.31
74 MDsRFNsFIMRRRLWRNHWR 0.31
75 MDsRFNsFIMRRFIMRNHWW 0.31
76 yDsRHNsFIMRRFLWRNHWW 0.31
77 MDsRFNsFIMRRRIWRNHWR 0.31
78 yDsRFNsFIMRRFIMMNHWR 0.31
79 yDsRFNsAIMRRFIWRNHWR 0.31
80 yDsRHNsFIMRRFIWRNHWW 0.31
81 MDsRHNsFIMRRFIMRNHWR 0.31
82 yDsRINsFIMRRRLWRNHWR 0.32
83 yDsRFNsFIMRRFLMKNHWR 0.32
84 yDsRFNsFIMRRFLMMNHWR 0.32
85 yDsRFNsFRMRRRIMRNHWR 0.32
86 yDsRFNsFIMRRFIMKNHWR 0.32
87 MDsRFNsFIMRRFLMRNHWW 0.32
88 yDsRINsFIMRRFIMRNHWW 0.32
89 MDsRHNsFIMRRFLMRNHWR 0.32
90 yDsRFNsAIMRRFLWRNHWR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yDsRFNsFIMRRFIMRNHWW

16.58

-22.94

-6.36
2 yDsRHNsFIMRRFIMRNHWR

16.41

-22.24

-5.83
3 yDsRINsFIMRRFIMRNHWR

14.43

-20.04

-5.61
4 yDsRHNsFIMRRFLMRNHWR

15.86

-20.95

-5.09
5 YDsRFNsFIMRRFIMRNHWR

17.48

-22.14

-4.66
6 yDsRFNsFIMRRFIMRNHWH

16.6

-21.07

-4.47
7 yDsRINsFIMRRFLMRNHWR

17.77

-21.63

-3.86
8 yDsRFNsFIMRRRLWRNHWR

17.42

-20.88

-3.46
9 yDsRHNsFIMRRFLWRNHWR

18.23

-21.54

-3.31
10 yDsRHNsFIMRRFIWRNHWR

15.9

-19.2

-3.3
11 yDsRFNsFIMRRFLMRNHWH

18.31

-21.35

-3.04
12 yDsRFNsFIMRRFIWRNHWW

17.98

-20.91

-2.93
13 yDsRHNsFIMRRRIMRNHWR

16.2

-18.82

-2.62
14 yDsRFNsFIMRRRLMRNHWR

17.19

-19.47

-2.28
15 yDsRFNsFIMRRFLWRNHWR

18.83

-20.98

-2.15
16 yDsRFNsFIMRRFIMRNHWR

19.89

-21.86

-1.97
17 yDsRFNsFIMRRRIMRNHWW

17.24

-19.0

-1.76
18 yDsRFNsFIMRRFIWRNHWR

16.75

-18.29

-1.54
19 MDsRFNsFIMRRFIMRNHWR

18.89

-20.26

-1.37
20 yDsRFNsFIMRRRIWRNHWR

16.44

-17.45

-1.01
21 YDsRFNsFIMRRRLMRNHWR

17.28

-18.06

-0.78
22 yDsRFNsFIMRRFLMRNHWW

18.77

-19.22

-0.45
23 yDsRFNsFIMRRRLMRNHWW

16.99

-17.12

-0.13
24 yDsRFNsFIMRRFLMRNHWR

18.58

-17.59

0.99
25 YDsRFNsFIMRRFLMRNHWR

25.86

-21.69

4.17
26 yDsRFNsFIMRRRIMRNHWR

26.48

-19.48

7.0
27 YDsRFNsFIMRRRIMRNHWR

25.86

-18.84

7.02
28 yDsRHNsFIMRRRLMRNHWR

25.6

-18.57

7.03
29 yDsRFNsFIMRRFLWRNHWW

27.9

-20.26

7.64
30 MDsRFNsFIMRRFLMRNHWR

25.97

-17.23

8.74

 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