Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-7.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala A
G
 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 3.380 ΔGbinding -0.848
TOTAL
 2.532
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.276
Van der Waals -3.241 Backbone clash 0.012
Electrostatics 0.214 Helix dipole 0.000
Solvation Polar 4.088 Water bridges -0.013
Solvation Hyd -4.297 Disulfide 0.000
VdW clashes 1.725 Electrost. Kon 0.190
Entropy sc 0.649 Part.cov.bonds 0.000
Entropy mc

2.111

 ΔGstability

37.739
       

Predicted ligand sequences for model [ABP1_1OV32-7.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).
 
  ABP1_1OV32-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKKVRKRR 0.0
2 MRKVRKRR 0.02
3 MKRVRKRR 0.04
4 MRRVRKRR 0.06
5 KKKVRKRR 0.08
6 MKPVRKRR 0.09
7 MKKKRKRR 0.1
8 KRKVRKRR 0.11
9 MRPVRKRR 0.11
10 KKRVRKRR 0.12
11 MRKKRKRR 0.13
12 KRRVRKRR 0.14
13 MKRKRKRR 0.14
14 MRRKRKRR 0.16
15 KKPVRKRR 0.17
16 MKKFRKRR 0.18
17 KKKKRKRR 0.19
18 MKPKRKRR 0.19
19 KRPVRKRR 0.2
20 MRKFRKRR 0.21
21 KRKKRKRR 0.21
22 MRPKRKRR 0.22
23 KKRKRKRR 0.22
24 RKKVRKRR 0.22
25 MKRFRKRR 0.22
26 MRRFRKRR 0.24
27 RRKVRKRR 0.24
28 RKRVRKRR 0.25
29 KRRKRKRR 0.25
30 MKPFRKRR 0.27
31 KKKFRKRR 0.27
32 RRRVRKRR 0.28
33 KKPKRKRR 0.28
34 MKKVPKRR 0.29
35 KRKFRKRR 0.29
36 KKRFRKRR 0.3
37 KRPKRKRR 0.3
38 MRPFRKRR 0.3
39 RKPVRKRR 0.31
40 MRKVPKRR 0.31
41 RKKKRKRR 0.32
42 KRRFRKRR 0.32
43 MKRVPKRR 0.32
44 RRPVRKRR 0.33
45 KKPFRKRR 0.35
46 MRRVPKRR 0.35
47 RRKKRKRR 0.35
48 RKRKRKRR 0.36
49 KKKVPKRR 0.37
50 MKPVPKRR 0.38
51 KRPFRKRR 0.38
52 RRRKRKRR 0.38
53 MKKKPKRR 0.39
54 MRPVPKRR 0.4
55 RKKFRKRR 0.4
56 KRKVPKRR 0.4
57 RKPKRKRR 0.41
58 KKRVPKRR 0.41
59 MRKKPKRR 0.42
60 MKKVRKRK 0.42
61 RRKFRKRR 0.42
62 KRRVPKRR 0.43
63 MKRKPKRR 0.43
64 RRPKRKRR 0.44
65 RKRFRKRR 0.44
66 MRKVRKRK 0.45
67 MRRKPKRR 0.45
68 KKPVPKRR 0.46
69 RRRFRKRR 0.46
70 MKRVRKRK 0.46
71 MKKFPKRR 0.47
72 KRPVPKRR 0.48
73 KKKKPKRR 0.48
74 MKPKPKRR 0.48
75 MRRVRKRK 0.48
76 RKPFRKRR 0.49
77 KRKKPKRR 0.5
78 MRKFPKRR 0.5
79 KKKVRKRK 0.51
80 MKRFPKRR 0.51
81 MKPVRKRK 0.51
82 KKRKPKRR 0.51
83 MRPKPKRR 0.51
84 RKKVPKRR 0.51
85 RRPFRKRR 0.51
86 KRKVRKRK 0.53
87 MKKKRKRK 0.53
88 RRKVPKRR 0.53
89 MRRFPKRR 0.53
90 KRRKPKRR 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KKRVRKRR

4.73

-11.98

-7.25
2 KRKKRKRR

3.78

-10.2

-6.42
3 KKKVRKRR

4.53

-10.63

-6.1
4 MRRVRKRR

4.8

-10.3

-5.5
5 RKKVRKRR

4.1

-9.56

-5.46
6 MRRFRKRR

3.64

-9.07

-5.43
7 MKRVRKRR

4.48

-9.83

-5.35
8 KRKVRKRR

4.32

-9.62

-5.3
9 MRKVRKRR

4.26

-9.54

-5.28
10 MKRFRKRR

4.19

-9.44

-5.25
11 KRRVRKRR

4.37

-9.62

-5.25
12 MRPKRKRR

4.24

-9.42

-5.18
13 MKKVRKRR

4.11

-9.29

-5.18
14 MRKFRKRR

4.28

-9.4

-5.12
15 RRKVRKRR

4.61

-9.67

-5.06
16 MKPVRKRR

3.83

-8.71

-4.88
17 RKRVRKRR

4.5

-9.36

-4.86
18 MRKKRKRR

4.88

-9.63

-4.75
19 MKKKRKRR

4.54

-9.29

-4.75
20 MRRKRKRR

4.82

-9.56

-4.74
21 MKPKRKRR

4.38

-9.11

-4.73
22 MKRKRKRR

4.52

-9.12

-4.6
23 KKPVRKRR

4.0

-8.59

-4.59
24 KRPVRKRR

4.29

-8.83

-4.54
25 MKKFRKRR

4.07

-8.49

-4.42
26 KKKKRKRR

4.51

-8.78

-4.27
27 MKPFRKRR

3.93

-8.17

-4.24
28 MRPVRKRR

4.07

-8.25

-4.18
29 KKRKRKRR

4.46

-8.42

-3.96
30 KRRKRKRR

4.64

-8.39

-3.75

 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