Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-14.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala 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 0.454 ΔGbinding -1.825
TOTAL
 -1.371
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.133
Van der Waals -3.707 Backbone clash 0.095
Electrostatics 0.266 Helix dipole 0.000
Solvation Polar 3.904 Water bridges -0.053
Solvation Hyd -5.424 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon 0.308
Entropy sc 0.715 Part.cov.bonds 0.000
Entropy mc

4.522

 ΔGstability

11.349
       

Predicted ligand sequences for model [YSC84_2A08-14.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).
 
  YSC84_2A08-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPMRWKHR 0.0
2 RWFMRWKHR 0.01
3 RWYMRWKHR 0.05
4 RWPMRWWHR 0.08
5 RWFMRWWHR 0.1
6 IWPMRWKHR 0.11
7 RWPMRWIHR 0.11
8 RWFMRWIHR 0.12
9 RWYMRWWHR 0.13
10 IWFMRWKHR 0.13
11 RWYMRWIHR 0.16
12 IWYMRWKHR 0.16
13 IWPMRWWHR 0.19
14 IWFMRWWHR 0.21
15 IWPMRWIHR 0.22
16 IWYMRWWHR 0.24
17 IWFMRWIHR 0.24
18 IWYMRWIHR 0.27
19 KWPMRWKHR 0.34
20 RWPMRFKHR 0.35
21 KWFMRWKHR 0.35
22 RWFMRFKHR 0.37
23 KWYMRWKHR 0.39
24 RWYMRFKHR 0.4
25 KWPMRWWHR 0.42
26 RWPIRWKHR 0.42
27 KWFMRWWHR 0.43
28 RWPMRFWHR 0.43
29 RWFIRWKHR 0.43
30 RWPRRWKHR 0.43
31 RWFMRFWHR 0.45
32 KWPMRWIHR 0.45
33 RWFRRWKHR 0.45
34 IWPMRFKHR 0.46
35 KWFMRWIHR 0.46
36 RWPMRFIHR 0.46
37 KWYMRWWHR 0.47
38 RWYIRWKHR 0.47
39 RWPMRWKNR 0.47
40 RWYRRWKHR 0.48
41 RWFMRWKNR 0.48
42 RWFMRFIHR 0.48
43 RWYMRFWHR 0.48
44 IWFMRFKHR 0.48
45 KWYMRWIHR 0.5
46 RWPIRWWHR 0.5
47 RWYMRFIHR 0.51
48 RWPRRWWHR 0.51
49 RWFIRWWHR 0.52
50 IWYMRFKHR 0.52
51 RWYMRWKNR 0.52
52 IWPIRWKHR 0.53
53 RWPIRWIHR 0.53
54 RWFRRWWHR 0.53
55 RWPRRWIHR 0.54
56 IWPRRWKHR 0.54
57 IWPMRFWHR 0.54
58 RWPMRWWNR 0.55
59 RWFIRWIHR 0.55
60 IWFIRWKHR 0.55
61 RWYIRWWHR 0.55
62 IWFRRWKHR 0.56
63 RWFRRWIHR 0.56
64 RWYRRWWHR 0.56
65 IWFMRFWHR 0.56
66 RWFMRWWNR 0.57
67 IWPMRFIHR 0.57
68 RWYIRWIHR 0.58
69 IWPMRWKNR 0.58
70 IWYIRWKHR 0.58
71 RWPMRWINR 0.58
72 IWFMRFIHR 0.59
73 RWFMRWINR 0.59
74 RWYRRWIHR 0.59
75 RWYMRWWNR 0.6
76 IWYMRFWHR 0.6
77 IWFMRWKNR 0.6
78 IWYRRWKHR 0.6
79 IWPIRWWHR 0.61
80 IWPRRWWHR 0.62
81 IWYMRWKNR 0.63
82 IWFIRWWHR 0.63
83 IWYMRFIHR 0.63
84 RWYMRWINR 0.63
85 IWFRRWWHR 0.64
86 IWPIRWIHR 0.64
87 IWPRRWIHR 0.65
88 IWFIRWIHR 0.66
89 IWYIRWWHR 0.66
90 IWPMRWWNR 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWPMRFWHR

2.41

-11.03

-8.62
2 RWYMRWWHR

1.7

-9.11

-7.41
3 RWFMRWIHR

2.32

-9.49

-7.17
4 RWYMRFKHR

1.82

-8.97

-7.15
5 RWPMRFKHR

2.26

-9.23

-6.97
6 IWFMRWIHR

2.71

-9.46

-6.75
7 KWPMRWWHR

2.21

-8.78

-6.57
8 KWFMRWWHR

2.39

-8.63

-6.24
9 RWPIRWKHR

2.8

-9.0

-6.2
10 RWFMRFKHR

2.47

-8.62

-6.15
11 RWPMRWWHR

2.83

-8.62

-5.79
12 KWYMRWKHR

2.34

-8.04

-5.7
13 IWPMRWIHR

3.2

-8.88

-5.68
14 IWPMRWKHR

1.96

-7.54

-5.58
15 KWPMRWKHR

2.77

-7.88

-5.11
16 IWYMRWIHR

3.98

-9.04

-5.06
17 IWPMRWWHR

3.91

-8.89

-4.98
18 IWYMRWWHR

3.1

-8.02

-4.92
19 RWPMRWIHR

4.62

-9.53

-4.91
20 IWYMRWKHR

2.48

-7.29

-4.81
21 KWFMRWKHR

4.51

-9.18

-4.67
22 RWFMRWWHR

5.72

-10.29

-4.57
23 IWFMRWKHR

4.74

-9.25

-4.51
24 RWFMRWKHR

4.28

-8.76

-4.48
25 RWYMRWIHR

1.72

-6.12

-4.4
26 RWYMRWKHR

2.84

-7.23

-4.39
27 RWPMRWKHR

3.22

-7.28

-4.06
28 IWFMRWWHR

4.62

-8.34

-3.72
29 RWFIRWKHR

4.81

-8.11

-3.3
30 RWPRRWKHR

4.06

-7.23

-3.17

 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