Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-12.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 0.749 ΔGbinding -0.422
TOTAL
 0.327
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.347
Van der Waals -2.044 Backbone clash 0.037
Electrostatics 0.087 Helix dipole 0.000
Solvation Polar 1.974 Water bridges 0.000
Solvation Hyd -2.973 Disulfide 0.000
VdW clashes 0.232 Electrost. Kon 0.057
Entropy sc 0.067 Part.cov.bonds 0.000
Entropy mc

1.831

 ΔGstability

61.373
       

Predicted ligand sequences for model [SLA1-D2_1OV33-12.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).
 
  SLA1-D2_1OV33-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRFRPFWR 0.0
2 RRFRPFWR 0.0
3 HRFRPFWR 0.0
4 RRFRPRWR 0.03
5 HRFRPRWR 0.03
6 KRFRPRWR 0.03
7 RRFRRFWR 0.04
8 HRFRRFWR 0.04
9 KRFRRFWR 0.04
10 HRFRRRWR 0.07
11 KRFRRRWR 0.07
12 RRFRRRWR 0.07
13 KRFRHFWR 0.12
14 RRFRHFWR 0.12
15 HRFRHFWR 0.13
16 KRFPPFWR 0.14
17 HRFPPFWR 0.14
18 RRFPPFWR 0.14
19 RRFRHRWR 0.15
20 KRFRHRWR 0.15
21 HRFRHRWR 0.16
22 HRFMPFWR 0.17
23 KRFPRFWR 0.17
24 RRFPPRWR 0.17
25 RRFMPFWR 0.17
26 KRFMPFWR 0.17
27 RRFPRFWR 0.17
28 HRFPPRWR 0.17
29 KRFPPRWR 0.17
30 RRFRPFYR 0.18
31 HRFPRFWR 0.18
32 KRFRPFYR 0.18
33 HRFRPFYR 0.19
34 KRFMPRWR 0.2
35 RRFMRFWR 0.2
36 HRFMRFWR 0.2
37 RRFMPRWR 0.2
38 HRFMPRWR 0.2
39 KRFMRFWR 0.2
40 HRFPRRWR 0.21
41 KRFRPRYR 0.21
42 RRFPRRWR 0.21
43 KRFPRRWR 0.21
44 RRFRPRYR 0.21
45 HRFRPRYR 0.22
46 HRFRRFYR 0.22
47 RRFRRFYR 0.22
48 KRFRRFYR 0.22
49 KRFMRRWR 0.23
50 RRFMRRWR 0.23
51 HRFMRRWR 0.24
52 KRFRPFWK 0.25
53 RRFRPFWK 0.25
54 HRFRPFWK 0.25
55 HRFRRRYR 0.25
56 RRFRRRYR 0.25
57 KRFRRRYR 0.25
58 KRFPHFWR 0.26
59 RRFPHFWR 0.26
60 HRFPHFWR 0.27
61 RRFRRFWK 0.28
62 HRFRPRWK 0.28
63 RRFRPRWK 0.28
64 KRFRRFWK 0.28
65 KRFRPRWK 0.28
66 KRFMHFWR 0.29
67 KRFPHRWR 0.29
68 HRFRRFWK 0.29
69 RRFPHRWR 0.29
70 RRFMHFWR 0.29
71 HRFMHFWR 0.29
72 HRFPHRWR 0.3
73 KRFRHFYR 0.31
74 HRFRHFYR 0.31
75 RRFRHFYR 0.31
76 RRFMHRWR 0.32
77 HRFRRRWK 0.32
78 HRFMHRWR 0.32
79 KRFRRRWK 0.32
80 RRFPPFYR 0.32
81 RRFRRRWK 0.32
82 KRFPPFYR 0.32
83 KRFMHRWR 0.32
84 HRFPPFYR 0.33
85 KRFRHRYR 0.34
86 RRFRHRYR 0.34
87 HRFRHRYR 0.34
88 RRRRPFWR 0.34
89 KRRRPFWR 0.34
90 KRFMPFYR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFRHRWR

2.87

-4.96

-2.09
2 RRFPPRWR

4.29

-6.37

-2.08
3 RRFRPRWR

2.99

-5.02

-2.03
4 HRFPPRWR

2.74

-4.74

-2.0
5 KRFPPRWR

2.72

-4.72

-2.0
6 HRFRHRWR

3.67

-5.63

-1.96
7 KRFRRRWR

4.34

-6.21

-1.87
8 RRFPPFWR

4.03

-5.51

-1.48
9 KRFPRFWR

4.14

-5.39

-1.25
10 RRFRRRWR

4.27

-5.5

-1.23
11 KRFRPFWR

4.41

-5.62

-1.21
12 RRFPRFWR

4.14

-5.16

-1.02
13 RRFMPFWR

4.27

-5.27

-1.0
14 HRFMPFWR

4.26

-5.22

-0.96
15 HRFPPFWR

4.38

-5.27

-0.89
16 KRFRPRWR

4.77

-5.62

-0.85
17 HRFRPFWR

4.13

-4.94

-0.81
18 RRFRPFYR

4.35

-5.14

-0.79
19 RRFRHFWR

4.27

-5.03

-0.76
20 KRFRHFWR

4.61

-5.3

-0.69
21 HRFRRFWR

4.55

-5.15

-0.6
22 KRFPPFWR

4.02

-4.62

-0.6
23 KRFMPFWR

4.17

-4.74

-0.57
24 HRFRPRWR

3.82

-4.37

-0.55
25 RRFRPFWR

4.47

-4.98

-0.51
26 RRFRRFWR

4.1

-4.58

-0.48
27 KRFRHRWR

5.08

-5.4

-0.32
28 HRFRHFWR

4.62

-4.77

-0.15
29 KRFRRFWR

4.8

-4.62

0.18
30 HRFRRRWR

4.28

-4.08

0.2

 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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