Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-28.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 10
poly-Ala
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 1.115 ΔGbinding -0.444
TOTAL
 0.671
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.202
Van der Waals -4.604 Backbone clash 0.107
Electrostatics 0.603 Helix dipole 0.000
Solvation Polar 5.498 Water bridges 0.003
Solvation Hyd -6.644 Disulfide 0.000
VdW clashes 0.441 Electrost. Kon 0.469
Entropy sc 0.577 Part.cov.bonds 0.000
Entropy mc

3.010

 ΔGstability

12.707
       

Predicted ligand sequences for model [ABP1_1JO8-28.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_1JO8-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIRRHRRRRR 0.0
2 RIRRHRRKRR 0.01
3 RVRRHRRRRR 0.06
4 RVRRHRRKRR 0.07
5 RPRRHRRRRR 0.11
6 RPRRHRRKRR 0.12
7 RTRRHRRRRR 0.17
8 RTRRHRRKRR 0.18
9 RIHRHRRRRR 0.22
10 RIRRHKRRRR 0.22
11 RIHRHRRKRR 0.23
12 RIRRHKRKRR 0.24
13 RIPRHRRRRR 0.28
14 RVRRHKRRRR 0.28
15 RVHRHRRRRR 0.28
16 RVRRHKRKRR 0.29
17 RVHRHRRKRR 0.29
18 RIPRHRRKRR 0.29
19 RIRRHRRPRR 0.31
20 RVPRHRRRRR 0.33
21 RPHRHRRRRR 0.33
22 RPRRHKRRRR 0.33
23 RPRRHKRKRR 0.34
24 RVPRHRRKRR 0.34
25 RPHRHRRKRR 0.34
26 RVRRHRRPRR 0.37
27 RPPRHRRRRR 0.38
28 RTHRHRRRRR 0.39
29 RPPRHRRKRR 0.4
30 RIKRHRRRRR 0.4
31 RTRRHKRRRR 0.4
32 RTHRHRRKRR 0.41
33 RIKRHRRKRR 0.41
34 RTRRHKRKRR 0.41
35 RIRRHPRRRR 0.42
36 RPRRHRRPRR 0.42
37 RIRRHPRKRR 0.44
38 RIHRHKRRRR 0.44
39 RTPRHRRRRR 0.45
40 RVKRHRRRRR 0.45
41 RIHRHKRKRR 0.46
42 RVKRHRRKRR 0.46
43 RTPRHRRKRR 0.46
44 RIRRHHRRRR 0.48
45 RVRRHPRRRR 0.48
46 RVRRHPRKRR 0.49
47 RTRRHRRPRR 0.49
48 RIRRHHRKRR 0.49
49 RIRRHRRIRR 0.49
50 RVHRHKRRRR 0.5
51 RPKRHRRRRR 0.5
52 RIPRHKRRRR 0.5
53 RVHRHKRKRR 0.51
54 RIPRHKRKRR 0.51
55 RPKRHRRKRR 0.52
56 RPRRHPRRRR 0.53
57 RVRRHHRRRR 0.53
58 RIHRHRRPRR 0.54
59 RVRRHHRKRR 0.54
60 RPRRHPRKRR 0.54
61 RIRRHKRPRR 0.54
62 RVRRHRRIRR 0.55
63 RPHRHKRRRR 0.55
64 RPHRHKRKRR 0.56
65 RVPRHKRRRR 0.56
66 RVPRHKRKRR 0.57
67 RTKRHRRRRR 0.57
68 RPRRHHRRRR 0.58
69 RTKRHRRKRR 0.58
70 RIPRHRRPRR 0.59
71 RVRRHKRPRR 0.59
72 RPRRHHRKRR 0.59
73 RVHRHRRPRR 0.59
74 RTRRHPRRRR 0.6
75 RPRRHRRIRR 0.6
76 RPPRHKRRRR 0.61
77 RTRRHPRKRR 0.61
78 RPPRHKRKRR 0.62
79 RIKRHKRRRR 0.62
80 RTHRHKRRRR 0.62
81 RIKRHKRKRR 0.63
82 RTHRHKRKRR 0.63
83 RPHRHRRPRR 0.64
84 RPRRHKRPRR 0.64
85 RIHRHPRRRR 0.65
86 RVPRHRRPRR 0.65
87 RTRRHHRRRR 0.65
88 RTRRHHRKRR 0.66
89 RIHRHPRKRR 0.66
90 RTPRHKRRRR 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RIKRHRRRRR

3.23

-20.46

-17.23
2 RIPRHRRRRR

2.93

-20.14

-17.21
3 RVPRHRRKRR

3.16

-19.64

-16.48
4 RTRRHRRRRR

3.69

-20.08

-16.39
5 RIRRHRRKRR

2.62

-18.62

-16.0
6 RIPRHRRKRR

3.69

-19.63

-15.94
7 RVRRHRRPRR

4.0

-19.85

-15.85
8 RPRRHRRRRR

2.51

-18.06

-15.55
9 RVRRHRRKRR

3.14

-18.62

-15.48
10 RIHRHRRRRR

3.39

-18.75

-15.36
11 RIRRHRRPRR

3.8

-19.1

-15.3
12 RIHRHRRKRR

2.76

-18.02

-15.26
13 RTRRHRRKRR

3.38

-18.53

-15.15
14 RVHRHRRKRR

3.79

-18.57

-14.78
15 RPRRHRRKRR

2.73

-17.33

-14.6
16 RVRRHRRRRR

3.52

-18.07

-14.55
17 RVHRHRRRRR

3.91

-18.38

-14.47
18 RVPRHRRRRR

3.16

-17.44

-14.28
19 RPPRHRRRRR

4.05

-18.2

-14.15
20 RPPRHRRKRR

3.16

-17.19

-14.03
21 RPHRHRRKRR

3.15

-17.16

-14.01
22 RTHRHRRRRR

4.03

-18.01

-13.98
23 RPHRHRRRRR

2.41

-16.37

-13.96
24 RVRRHKRKRR

2.27

-16.12

-13.85
25 RPRRHKRRRR

2.84

-16.49

-13.65
26 RPRRHKRKRR

2.53

-15.82

-13.29
27 RIRRHRRRRR

3.26

-16.35

-13.09
28 RVRRHKRRRR

2.62

-15.58

-12.96
29 RIRRHKRRRR

3.51

-16.38

-12.87
30 RIRRHKRKRR

4.39

-16.82

-12.43

 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