Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-26.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 0.338 ΔGbinding -1.992
TOTAL
 -1.654
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.386
Van der Waals -3.630 Backbone clash 0.061
Electrostatics 0.338 Helix dipole 0.000
Solvation Polar 3.737 Water bridges -0.001
Solvation Hyd -4.966 Disulfide 0.000
VdW clashes 0.048 Electrost. Kon 0.390
Entropy sc 0.504 Part.cov.bonds 0.000
Entropy mc

2.477

 ΔGstability

9.130
       

Predicted ligand sequences for model [YSC84_2A08-26.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_2A08-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDMPKMWPR 0.0
2 DDMPRMWPR 0.01
3 DDMPKMWRR 0.06
4 DDMPRMWRR 0.07
5 DRMPKMWPR 0.14
6 DRMPRMWPR 0.15
7 DDMPHMWPR 0.15
8 DRMPKMWRR 0.2
9 DRMPRMWRR 0.21
10 DDMPHMWRR 0.21
11 DDMPKMRPR 0.24
12 DDMPRMRPR 0.25
13 DDMPKMWHR 0.27
14 DDMPRMWHR 0.28
15 DRMPHMWPR 0.29
16 DDMPKMRRR 0.29
17 DEMPKMWPR 0.3
18 DDMPRMRRR 0.3
19 DEMPRMWPR 0.31
20 DDMDKMWPR 0.34
21 DDMIKMWPR 0.35
22 DDMDRMWPR 0.35
23 DEMPKMWRR 0.35
24 DRMPHMWRR 0.35
25 DEMPRMWRR 0.36
26 DDMIRMWPR 0.36
27 DRMPKMRPR 0.38
28 DDMDKMWRR 0.39
29 DRMPRMRPR 0.39
30 DDMPHMRPR 0.39
31 DDMDRMWRR 0.4
32 DDMIKMWRR 0.4
33 TDMPKMWPR 0.4
34 TDMPRMWPR 0.41
35 DRMPKMWHR 0.41
36 DDMIRMWRR 0.41
37 DDMPHMWHR 0.42
38 DRMPRMWHR 0.42
39 DRMPKMRRR 0.43
40 DDMPHMRRR 0.45
41 DRMPRMRRR 0.45
42 DEMPHMWPR 0.45
43 TDMPKMWRR 0.46
44 TDMPRMWRR 0.47
45 DRMDKMWPR 0.48
46 DRMIKMWPR 0.49
47 DDMDHMWPR 0.49
48 EDMPKMWPR 0.49
49 DRMDRMWPR 0.49
50 EDMPRMWPR 0.5
51 DRMIRMWPR 0.5
52 DDMIHMWPR 0.5
53 DEMPHMWRR 0.51
54 DDMPKMRHR 0.51
55 DDMPRMRHR 0.52
56 DRMPHMRPR 0.53
57 DRMDKMWRR 0.53
58 DRMDRMWRR 0.54
59 DEMPKMRPR 0.54
60 TRMPKMWPR 0.54
61 DEMPRMRPR 0.55
62 TRMPRMWPR 0.55
63 EDMPKMWRR 0.55
64 DRMIKMWRR 0.55
65 DDMDHMWRR 0.55
66 DRMIRMWRR 0.56
67 DEMPKMWHR 0.56
68 TDMPHMWPR 0.56
69 DDMIHMWRR 0.56
70 EDMPRMWRR 0.56
71 DRMPHMWHR 0.56
72 DEMPRMWHR 0.57
73 DDMDKMRPR 0.58
74 DDMIKMRPR 0.59
75 DDMDRMRPR 0.59
76 DRMPHMRRR 0.59
77 DEMPKMRRR 0.59
78 TRMPKMWRR 0.6
79 DDMDKMWHR 0.6
80 DDMIRMRPR 0.6
81 DEMPRMRRR 0.6
82 DDMDRMWHR 0.61
83 TDMPHMWRR 0.61
84 TRMPRMWRR 0.61
85 DDMIKMWHR 0.62
86 DDMIRMWHR 0.63
87 DEMDKMWPR 0.63
88 DDMDKMRRR 0.63
89 DRMDHMWPR 0.63
90 ERMPKMWPR 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDMPKMRRR

1.51

-12.52

-11.01
2 DDMPRMRRR

1.44

-11.92

-10.48
3 DDMPKMRPR

1.69

-12.12

-10.43
4 DDMPRMRPR

1.91

-12.33

-10.42
5 DRMPKMRPR

1.45

-11.61

-10.16
6 DRMPRMRPR

2.21

-12.1

-9.89
7 DDMPHMWRR

2.41

-11.6

-9.19
8 DDMPKMWRR

2.43

-11.43

-9.0
9 DRMPHMWRR

2.42

-11.32

-8.9
10 DDMPHMRPR

1.24

-9.82

-8.58
11 DRMPRMWRR

2.75

-11.3

-8.55
12 DDMPKMWHR

2.7

-11.21

-8.51
13 DDMDRMWPR

2.59

-11.09

-8.5
14 DDMPRMWHR

2.74

-11.0

-8.26
15 DRMPKMWRR

2.33

-10.57

-8.24
16 DRMPHMWPR

2.5

-10.7

-8.2
17 DEMPKMWRR

3.04

-11.13

-8.09
18 DEMPRMWPR

2.42

-10.32

-7.9
19 DEMPKMWPR

2.93

-10.8

-7.87
20 DDMPHMWPR

2.08

-9.91

-7.83
21 DEMPRMWRR

2.79

-10.59

-7.8
22 DRMPRMWPR

2.43

-10.16

-7.73
23 DDMPRMWPR

2.34

-10.05

-7.71
24 DDMPKMWPR

2.78

-10.4

-7.62
25 DDMIKMWPR

2.25

-9.78

-7.53
26 DRMPKMWPR

2.56

-10.07

-7.51
27 DDMPRMWRR

2.59

-10.04

-7.45
28 DDMDKMWPR

2.74

-10.16

-7.42
29 DDMDKMWRR

1.81

-9.0

-7.19
30 DDMIRMWPR

2.2

-8.78

-6.58

 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