Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-13.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 1.277 ΔGbinding -0.940
TOTAL
 0.337
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.618
Van der Waals -3.269 Backbone clash 0.000
Electrostatics 0.215 Helix dipole 0.000
Solvation Polar 3.800 Water bridges -0.076
Solvation Hyd -4.260 Disulfide 0.000
VdW clashes 0.468 Electrost. Kon 0.239
Entropy sc 0.659 Part.cov.bonds 0.000
Entropy mc

1.940

 ΔGstability

11.973
       

Predicted ligand sequences for model [ABP1_1JO8-13.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_1JO8-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRHPFR 0.0
2 RRPRHPFR 0.07
3 RRRRHPFW 0.1
4 RRKRHPFR 0.15
5 RRPRHPFW 0.17
6 RRRRHPRR 0.24
7 RRRKHPFR 0.24
8 RRKRHPFW 0.25
9 RRRRHPFK 0.28
10 RRRMHPFR 0.29
11 RRPRHPRR 0.31
12 RRPKHPFR 0.31
13 RKRRHPFR 0.32
14 RRRKHPFW 0.33
15 RRRRHPRW 0.34
16 RRRRHLFR 0.35
17 RRPMHPFR 0.36
18 RRPRHPFK 0.36
19 RRKRHPRR 0.39
20 RKPRHPFR 0.39
21 RRRMHPFW 0.39
22 RRKKHPFR 0.39
23 RRRRHFFR 0.4
24 RRPRHPRW 0.41
25 RRPKHPFW 0.41
26 RKRRHPFW 0.42
27 RRPRHLFR 0.43
28 RRKRHPFK 0.43
29 RRKMHPFR 0.44
30 RRRRHLFW 0.45
31 RRPMHPFW 0.46
32 RKKRHPFR 0.47
33 RRRRFPFR 0.47
34 RRPRHFFR 0.47
35 RRRKHPRR 0.48
36 RRKKHPFW 0.48
37 RRKRHPRW 0.49
38 RRRRHFFW 0.49
39 RKPRHPFW 0.49
40 RRKRHLFR 0.51
41 RRRRHPRK 0.52
42 RRPRHLFW 0.52
43 RRRKHPFK 0.52
44 RRRMHPRR 0.53
45 RRPRFPFR 0.54
46 RRKMHPFW 0.54
47 RRKRHFFR 0.55
48 RRPKHPRR 0.55
49 RKRRHPRR 0.56
50 RKRKHPFR 0.56
51 RKKRHPFW 0.57
52 RRRKHPRW 0.57
53 RRRRFPFW 0.57
54 RRPRHFFW 0.57
55 RRRMHPFK 0.58
56 RRRKHLFR 0.59
57 RRRRHLRR 0.59
58 RRPKHPFK 0.59
59 RRPMHPRR 0.6
60 RRPRHPRK 0.6
61 RRKRHLFW 0.6
62 RKRRHPFK 0.6
63 RKRMHPFR 0.61
64 RRKRFPFR 0.62
65 RKPKHPFR 0.63
66 RRKKHPRR 0.63
67 RKPRHPRR 0.63
68 RRRMHPRW 0.63
69 RRRKHFFR 0.64
70 RRPRFPFW 0.64
71 RRKRHFFW 0.64
72 RRRRHLFK 0.64
73 RRRRHFRR 0.64
74 RRPKHPRW 0.65
75 RRPMHPFK 0.65
76 RRRMHLFR 0.65
77 RKRRHPRW 0.66
78 RKRKHPFW 0.66
79 RRPKHLFR 0.66
80 RRPRHLRR 0.67
81 RRKKHPFK 0.67
82 RRKRHPRK 0.68
83 RKRRHLFR 0.68
84 RKPMHPFR 0.68
85 RRKMHPRR 0.68
86 RRRRHFFK 0.68
87 RKPRHPFK 0.68
88 RRRKHLFW 0.69
89 RRRRHLRW 0.69
90 RRRMHFFR 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKRHPRR

2.21

-13.38

-11.17
2 RKRRHPFR

2.24

-12.95

-10.71
3 RRRRHPFK

1.85

-12.45

-10.6
4 RRRRHPFW

1.96

-12.38

-10.42
5 RRRRHPRW

2.5

-12.79

-10.29
6 RRKRHPFR

2.57

-12.63

-10.06
7 RRPRHLFR

1.89

-11.9

-10.01
8 RRRRHFFR

2.67

-12.42

-9.75
9 RRPRHPRR

2.27

-11.9

-9.63
10 RRRRHLFR

2.36

-11.95

-9.59
11 RRRKHPFR

1.72

-11.21

-9.49
12 RRRRHPFR

1.88

-11.26

-9.38
13 RRRRHPRR

2.3

-11.67

-9.37
14 RRPRHPRW

1.93

-11.3

-9.37
15 RRKRHPFW

2.15

-11.52

-9.37
16 RKPRHPFR

2.98

-12.15

-9.17
17 RRPRHPFW

1.68

-10.71

-9.03
18 RKRRHPFW

1.41

-10.44

-9.03
19 RRPKHPFR

2.34

-10.85

-8.51
20 RRPMHPFR

1.66

-10.08

-8.42
21 RRPRHPFR

1.66

-10.02

-8.36
22 RRRMHPFR

1.44

-9.74

-8.3
23 RRPRHPFK

1.77

-10.04

-8.27
24 RRKMHPFR

1.8

-10.06

-8.26
25 RRRRHLFW

2.5

-10.69

-8.19
26 RRKRHPFK

1.72

-9.78

-8.06
27 RRRKHPFW

2.34

-10.32

-7.98
28 RRPKHPFW

2.11

-9.91

-7.8
29 RRKKHPFR

1.6

-9.29

-7.69
30 RRRMHPFW

1.45

-8.42

-6.97

 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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