Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-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 9.517 ΔGbinding -2.518
TOTAL
 6.999
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.389
Van der Waals -3.598 Backbone clash 0.000
Electrostatics 0.020 Helix dipole 0.000
Solvation Polar 3.634 Water bridges 0.000
Solvation Hyd -4.963 Disulfide 0.000
VdW clashes 0.433 Electrost. Kon -0.002
Entropy sc 0.527 Part.cov.bonds 0.000
Entropy mc

2.316

 ΔGstability

50.864
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-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).
 
  BEM1-D1_JO8-LCK-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDRPRGMPW 0.0
2 DRRPRGMPW 0.01
3 DDRPRGPPW 0.02
4 DDRPKGMPW 0.02
5 DRRPRGPPW 0.03
6 DDRPKGPPW 0.04
7 DRRPKGMPW 0.04
8 DRRPKGPPW 0.05
9 DDRPRGMRW 0.09
10 DRRPRGMRW 0.1
11 DDRPRGPRW 0.1
12 DDRPKGMRW 0.11
13 DDRPHGMPW 0.12
14 DRRPKGMRW 0.12
15 DRRPRGPRW 0.12
16 DRRPHGMPW 0.13
17 DDRPKGPRW 0.13
18 DDRPHGPPW 0.13
19 DRRPKGPRW 0.14
20 DRRPHGPPW 0.15
21 DDRPRGMPH 0.2
22 DDRPHGMRW 0.2
23 DRRPRGMPH 0.21
24 RDRPRGMPW 0.21
25 RRRPRGMPW 0.22
26 DRRPHGMRW 0.22
27 DDRPRGPPH 0.22
28 DDRPKGMPH 0.22
29 DDRPHGPRW 0.22
30 SDRPRGMPW 0.23
31 RDRPRGPPW 0.23
32 DRRPRGPPH 0.23
33 RDRPKGMPW 0.23
34 DRRPHGPRW 0.23
35 DDRPKGPPH 0.24
36 DERPRGMPW 0.24
37 DRRPKGMPH 0.24
38 RRRPRGPPW 0.24
39 DERPRGPPW 0.25
40 DRRPKGPPH 0.25
41 RDRPKGPPW 0.25
42 RRRPKGMPW 0.25
43 SRRPRGMPW 0.25
44 SDRPRGPPW 0.25
45 RRRPKGPPW 0.26
46 SRRPRGPPW 0.26
47 SDRPKGMPW 0.26
48 DERPKGMPW 0.26
49 SRRPKGMPW 0.27
50 SDRPKGPPW 0.27
51 DERPKGPPW 0.28
52 DDRPRGMRH 0.29
53 SRRPKGPPW 0.29
54 DRRPRGMRH 0.3
55 DDRPRGPRH 0.3
56 RDRPRGMRW 0.3
57 RRRPRGMRW 0.31
58 DDPPRGMPW 0.31
59 DDRPKGMRH 0.31
60 RDRPRGPRW 0.31
61 DDRPRGMHW 0.31
62 DDIPRGMPW 0.32
63 DRPPRGMPW 0.32
64 SDRPRGMRW 0.32
65 DERPRGMRW 0.32
66 DDRPHGMPH 0.32
67 DRRPKGMRH 0.32
68 DRRPRGPRH 0.32
69 RDRPKGMRW 0.32
70 DRRPRGMHW 0.32
71 DDRPKGMHW 0.33
72 DRRPHGMPH 0.33
73 DDPPKGMPW 0.33
74 DDRPRGPHW 0.33
75 RDRPHGMPW 0.33
76 RRRPRGPRW 0.33
77 DDRPKGPRH 0.33
78 RRRPKGMRW 0.33
79 SRRPRGMRW 0.33
80 DDPPRGPPW 0.33
81 DDRPHGPPH 0.33
82 DRIPRGMPW 0.33
83 DRRPKGPRH 0.34
84 DDIPKGMPW 0.34
85 RDRPKGPRW 0.34
86 RDRPHGPPW 0.34
87 DRRPRGPHW 0.34
88 SDRPKGMRW 0.34
89 DDIPRGPPW 0.34
90 RRRPHGMPW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRRPRGMPH

6.34

-8.84

-2.5
2 DDRPKGMPH

6.34

-8.6

-2.26
3 DRRPHGMPW

6.33

-8.59

-2.26
4 DRRPKGMPW

6.56

-8.56

-2.0
5 DRRPHGMRW

6.56

-8.51

-1.95
6 DDRPRGPRW

5.4

-7.18

-1.78
7 DDRPRGPPW

5.39

-7.0

-1.61
8 DDRPHGMRW

6.5

-8.11

-1.61
9 DDRPRGMRW

6.86

-8.39

-1.53
10 DRRPRGMPW

7.07

-8.55

-1.48
11 DRRPRGPPW

6.46

-7.9

-1.44
12 RDRPRGMPW

6.73

-8.16

-1.43
13 DDRPRGMPW

7.08

-8.45

-1.37
14 DDRPHGPPW

5.4

-6.66

-1.26
15 DDRPKGPRW

5.67

-6.83

-1.16
16 RRRPRGMPW

6.68

-7.79

-1.11
17 DDRPHGMPW

6.58

-7.68

-1.1
18 DDRPHGPRW

5.49

-6.56

-1.07
19 DDRPKGMRW

6.51

-7.41

-0.9
20 DDRPKGPPW

5.58

-6.48

-0.9
21 DRRPRGMRW

6.45

-7.22

-0.77
22 DRRPKGMRW

6.67

-7.42

-0.75
23 DDRPKGMPW

6.61

-7.36

-0.75
24 DDRPRGPPH

5.4

-6.15

-0.75
25 SDRPRGMPW

6.54

-7.18

-0.64
26 DRRPRGPRW

5.53

-6.16

-0.63
27 DRRPKGPRW

5.43

-6.0

-0.57
28 DRRPKGPPW

5.56

-6.09

-0.53
29 DRRPHGPPW

6.19

-5.81

0.38
30 DDRPRGMPH

7.49

-6.91

0.58

 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