Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-26.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    

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Intraclash 5.241 ΔGbinding -0.968
TOTAL
 4.273
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.348
Van der Waals -3.453 Backbone clash -0.000
Electrostatics 0.300 Helix dipole 0.000
Solvation Polar 3.516 Water bridges -0.011
Solvation Hyd -4.753 Disulfide 0.000
VdW clashes 0.137 Electrost. Kon 0.334
Entropy sc 0.236 Part.cov.bonds 0.000
Entropy mc

2.379

 ΔGstability

15.313
       

Predicted ligand sequences for model [ABP1_1JO8-26.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).
 
  ABP1_1JO8-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRKRRHHH 0.0
2 RRRKRRHRH 0.03
3 RRRKRRHPH 0.03
4 RRRKKRHHH 0.04
5 RRRKRRHHF 0.04
6 RRRKRRHRF 0.07
7 RRRKKRHHF 0.07
8 RRRKKRHRH 0.07
9 RRRKKRHPH 0.07
10 RRRKRRHPF 0.07
11 RRRKRRFHH 0.08
12 RRRKRRFHF 0.11
13 RRRKRRFRH 0.11
14 RRRKRRFPH 0.11
15 RRRKKRHRF 0.11
16 RRRKKRHPF 0.11
17 RRRKKRFHH 0.12
18 RRRKRRFRF 0.15
19 RRRKRRFPF 0.15
20 RRRKKRFPH 0.15
21 RRRKKRFHF 0.15
22 RRRKKRFRH 0.15
23 RRRKHRHHH 0.16
24 RRRKKRFPF 0.18
25 RRRKKRFRF 0.18
26 RRRKHRHRH 0.19
27 RRRKHRHPH 0.19
28 RRRKHRHHF 0.19
29 RRRPRRHHH 0.23
30 RRRKHRHRF 0.23
31 RRRKHRHPF 0.23
32 RRRKHRFHH 0.24
33 RKRKRRHHH 0.25
34 RRRPRRHHF 0.26
35 RRRPRRHRH 0.26
36 RRRPRRHPH 0.26
37 RRRPKRHHH 0.26
38 RRRKHRFPH 0.27
39 RRRKHRFRH 0.27
40 RHRKRRHHH 0.27
41 RRRKHRFHF 0.27
42 RKRKRRHPH 0.28
43 RKRKRRHRH 0.28
44 RKRKKRHHH 0.28
45 RKRKRRHHF 0.28
46 RRRPRRHPF 0.29
47 RRRPKRHPH 0.3
48 RRRPRRHRF 0.3
49 RHRKRRHHF 0.3
50 RHRKKRHHH 0.3
51 RRRPRRFHH 0.3
52 RRRPKRHRH 0.3
53 RRRPKRHHF 0.3
54 RHRKRRHRH 0.3
55 RHRKRRHPH 0.3
56 RKRKRRHPF 0.31
57 RRRKHRFPF 0.31
58 RRRKHRFRF 0.31
59 RKRKRRHRF 0.32
60 RKRKKRHHF 0.32
61 RKRKKRHRH 0.32
62 RKRKKRHPH 0.32
63 RHRKKRHPH 0.33
64 RKRKRRFHH 0.33
65 RRRPKRHPF 0.33
66 RRRPKRHRF 0.33
67 RHRKRRHRF 0.33
68 RHRKRRHPF 0.33
69 RRRFRRHHH 0.33
70 RHRKRRFHH 0.34
71 RHRKKRHRH 0.34
72 RRRPRRFRH 0.34
73 RRRPRRFPH 0.34
74 RHRKKRHHF 0.34
75 RRRPRRFHF 0.34
76 RRRKRRRHH 0.34
77 RRRPKRFHH 0.34
78 RKRKKRHRF 0.35
79 RKRKKRHPF 0.35
80 RKRKKRFHH 0.36
81 RRRFRRHPH 0.36
82 RRRFRRHRH 0.36
83 RKRKRRFHF 0.36
84 RRRKRRHHK 0.36
85 RRRFRRHHF 0.36
86 RKRKRRFRH 0.36
87 RKRKRRFPH 0.36
88 RRRKRRRRH 0.37
89 RHRKKRHPF 0.37
90 RRRKRRRPH 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRKRRHHF

2.55

-13.25

-10.7
2 RRRKRRHPF

4.47

-12.96

-8.49
3 RRRKRRHRF

4.11

-12.6

-8.49
4 RRRKRRHRH

4.34

-12.77

-8.43
5 RRRKKRFHF

2.18

-10.31

-8.13
6 RRRKKRFPF

1.5

-9.53

-8.03
7 RRRKRRFHH

2.01

-9.59

-7.58
8 RRRKHRHHH

3.16

-10.55

-7.39
9 RRRPRRHHH

3.89

-11.07

-7.18
10 RRRKKRHRH

3.9

-10.63

-6.73
11 RRRKKRFRF

3.74

-9.91

-6.17
12 RRRKRRFHF

3.6

-9.69

-6.09
13 RRRKHRHRF

4.53

-9.9

-5.37
14 RRRKKRHPH

3.77

-8.81

-5.04
15 RRRKRRFPH

2.02

-6.84

-4.82
16 RRRKHRHRH

4.18

-8.95

-4.77
17 RRRKRRHHH

3.23

-7.98

-4.75
18 RRRKKRFPH

2.78

-7.2

-4.42
19 RRRKRRFRF

3.8

-8.1

-4.3
20 RRRKRRFRH

3.09

-7.34

-4.25
21 RRRKKRHHF

3.39

-7.53

-4.14
22 RRRKKRHRF

3.09

-7.2

-4.11
23 RRRKKRHHH

3.27

-7.33

-4.06
24 RRRKHRHPH

3.66

-7.68

-4.02
25 RRRKKRHPF

4.16

-8.0

-3.84
26 RRRKHRHHF

3.14

-6.81

-3.67
27 RRRKKRFRH

3.82

-7.48

-3.66
28 RRRKRRFPF

3.38

-6.97

-3.59
29 RRRKKRFHH

3.12

-6.49

-3.37
30 RRRKRRHPH

3.48

-5.41

-1.93

 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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