Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-9.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
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    

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Intraclash 0.935 ΔGbinding -1.054
TOTAL
 -0.119
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.436
Van der Waals -3.759 Backbone clash 0.000
Electrostatics 0.346 Helix dipole 0.000
Solvation Polar 4.516 Water bridges 0.014
Solvation Hyd -4.776 Disulfide 0.000
VdW clashes 0.022 Electrost. Kon 0.311
Entropy sc 0.632 Part.cov.bonds 0.000
Entropy mc

2.479

 ΔGstability

12.237
       

Predicted ligand sequences for model [ABP1_1JO8-9.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_1JO8-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRPRKR 0.0
2 RRPKPRKR 0.01
3 RRPRPPKR 0.02
4 RRPKPPKR 0.04
5 RRWRPRKR 0.06
6 RRPMPRKR 0.06
7 RRKRPRKR 0.07
8 RRWKPRKR 0.07
9 RRWRPPKR 0.08
10 RRPMPPKR 0.08
11 RRKKPRKR 0.08
12 RRKRPPKR 0.09
13 RRWKPPKR 0.09
14 RRKKPPKR 0.1
15 RRWMPRKR 0.12
16 RRKMPRKR 0.13
17 RRWMPPKR 0.14
18 RRKMPPKR 0.15
19 RRPRPFKR 0.2
20 RRPKPFKR 0.22
21 RRPMPFKR 0.26
22 RRWRPFKR 0.26
23 RRWKPFKR 0.27
24 RRKRPFKR 0.27
25 RRKKPFKR 0.28
26 RRWMPFKR 0.32
27 RRKMPFKR 0.33
28 RRPRRRKR 0.38
29 RRPKRRKR 0.39
30 RRPRRPKR 0.4
31 HRPRPRKR 0.4
32 HRPKPRKR 0.41
33 RRPKRPKR 0.42
34 HRPRPPKR 0.42
35 RRWRRRKR 0.43
36 RRPRPRFR 0.43
37 RRKRRRKR 0.44
38 RRPMRRKR 0.44
39 HRPKPPKR 0.44
40 HRWRPRKR 0.45
41 RRWKRRKR 0.45
42 RRPKPRFR 0.45
43 RRWRRPKR 0.46
44 RRPMRPKR 0.46
45 HRKRPRKR 0.46
46 RRKKRRKR 0.46
47 RRPRPPFR 0.46
48 HRPMPRKR 0.46
49 RRPKPPFR 0.47
50 HRWKPRKR 0.47
51 RRWKRPKR 0.47
52 RRKRRPKR 0.47
53 RRKKRPKR 0.48
54 HRWRPPKR 0.48
55 HRPMPPKR 0.48
56 HRKKPRKR 0.48
57 HRKRPPKR 0.49
58 RRPMPRFR 0.49
59 RRPRPRKY 0.49
60 RRWMRRKR 0.49
61 HRWKPPKR 0.49
62 RRWRPRFR 0.49
63 HRKKPPKR 0.5
64 RRKRPRFR 0.5
65 RRWKPRFR 0.5
66 RRKKPRFR 0.51
67 RRPRPPKY 0.51
68 RRPKPRKY 0.51
69 HRWMPRKR 0.51
70 RRKMRRKR 0.51
71 RRWRPPFR 0.51
72 RRKRPPFR 0.52
73 RRWMRPKR 0.52
74 RRPMPPFR 0.52
75 RRKMRPKR 0.53
76 RRPKPPKY 0.53
77 HRKMPRKR 0.53
78 RRWKPPFR 0.53
79 HRWMPPKR 0.54
80 RRKKPPFR 0.54
81 RRWRPRKY 0.55
82 RRWMPRFR 0.55
83 HRKMPPKR 0.55
84 RRPMPRKY 0.55
85 RRKMPRFR 0.56
86 RRKRPRKY 0.56
87 RRWKPRKY 0.56
88 RRWRPPKY 0.57
89 RRKKPRKY 0.57
90 RRWMPPFR 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKMPPKR

1.09

-13.76

-12.67
2 RRKRPPKR

1.29

-13.85

-12.56
3 RRPRRPKR

1.45

-13.56

-12.11
4 RRPRPRKR

1.33

-12.89

-11.56
5 RRWRPFKR

1.33

-12.44

-11.11
6 RRKMPFKR

1.05

-12.07

-11.02
7 RRWMPPKR

1.23

-12.1

-10.87
8 RRKKPFKR

1.33

-12.15

-10.82
9 RRPKRRKR

1.43

-12.23

-10.8
10 RRWKPRKR

1.63

-12.4

-10.77
11 RRKKPPKR

1.01

-11.7

-10.69
12 RRPKPRKR

1.2

-11.76

-10.56
13 RRPMPPKR

1.25

-11.77

-10.52
14 RRKMPRKR

1.39

-11.8

-10.41
15 RRPRPFKR

1.21

-11.61

-10.4
16 RRWRPRKR

1.56

-11.62

-10.06
17 RRPKPFKR

1.08

-11.08

-10.0
18 RRPKPPKR

1.19

-11.16

-9.97
19 RRWMPRKR

1.24

-11.16

-9.92
20 RRPMPRKR

1.34

-11.23

-9.89
21 RRKRPRKR

1.59

-11.43

-9.84
22 RRKKPRKR

1.38

-11.19

-9.81
23 RRKRPFKR

1.2

-11.0

-9.8
24 RRWKPFKR

1.07

-10.74

-9.67
25 RRPRRRKR

1.74

-11.22

-9.48
26 RRPMPFKR

1.18

-10.58

-9.4
27 RRWMPFKR

1.27

-10.56

-9.29
28 RRPRPPKR

1.16

-10.41

-9.25
29 RRWRPPKR

1.85

-10.65

-8.8
30 RRWKPPKR

1.62

-10.19

-8.57

 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.

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