Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-29.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    

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Intraclash 1.619 ΔGbinding -2.852
TOTAL
 -1.233
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.524
Van der Waals -3.507 Backbone clash 0.015
Electrostatics 0.051 Helix dipole 0.000
Solvation Polar 3.145 Water bridges 0.000
Solvation Hyd -5.256 Disulfide 0.000
VdW clashes 0.017 Electrost. Kon 0.029
Entropy sc 0.298 Part.cov.bonds 0.000
Entropy mc

1.849

 ΔGstability

11.732
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-29.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-D3_1Z9Z-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DYMPRPYWWH 0.0
2 KYMPRPYWWH 0.0
3 KRMPRPYWWH 0.01
4 DYMPRPYRWH 0.01
5 KYMPRPYWWR 0.01
6 KYMPRPYRWH 0.01
7 DRMPRPYWWH 0.02
8 DYMPRPYWWR 0.02
9 KYMPRPYRWR 0.03
10 DRMPRPYRWH 0.03
11 KRMPRPYWWR 0.03
12 DYMPRPYRWR 0.03
13 KRMPRPYRWH 0.03
14 DRMPRPYWWR 0.03
15 KYMPRPYFWH 0.04
16 DRMPRPYRWR 0.04
17 KRMPRPYRWR 0.04
18 DYMPRPYFWH 0.05
19 KRMPRPYFWH 0.06
20 KYMPRPYFWR 0.06
21 HYMPRPYWWH 0.06
22 DYMPRPYFWR 0.06
23 DRMPRPYFWH 0.06
24 KRMPRPYFWR 0.07
25 HYMPRPYRWH 0.07
26 HYMPRPYWWR 0.07
27 HRMPRPYWWH 0.07
28 DYLPRPYWWH 0.08
29 HYMPRPYRWR 0.08
30 KYLPRPYWWH 0.08
31 DRMPRPYFWR 0.08
32 KYLPRPYWWR 0.09
33 KYLPRPYRWH 0.09
34 HRMPRPYRWH 0.09
35 DYLPRPYRWH 0.09
36 HRMPRPYWWR 0.09
37 KRLPRPYWWH 0.09
38 DYLPRPYWWR 0.1
39 KYLPRPYRWR 0.1
40 HRMPRPYRWR 0.1
41 DRLPRPYWWH 0.1
42 KRLPRPYRWH 0.1
43 HYMPRPYFWH 0.1
44 DRLPRPYRWH 0.11
45 KYMMRPYWWH 0.11
46 DYLPRPYRWR 0.11
47 DRLPRPYWWR 0.11
48 KRLPRPYWWR 0.11
49 KYMWRPYWWH 0.11
50 KYMMRPYRWH 0.12
51 DYMMRPYWWH 0.12
52 KYMWRPYRWH 0.12
53 DRLPRPYRWR 0.12
54 KYLPRPYFWH 0.12
55 DYMWRPYWWH 0.12
56 HRMPRPYFWH 0.12
57 DYMPRNYWWH 0.12
58 KYMPRNYWWH 0.12
59 KRLPRPYRWR 0.12
60 HYMPRPYFWR 0.12
61 DYMWRPYRWH 0.13
62 DYMPRNYRWH 0.13
63 DYMMRPYWWR 0.13
64 KRMPRNYWWH 0.13
65 KYMPRNYRWH 0.13
66 KYMMRPYWWR 0.13
67 HRMPRPYFWR 0.13
68 KRMWRPYWWH 0.13
69 DRMMRPYWWH 0.13
70 KYMPRNYWWR 0.13
71 DYMWRPYWWR 0.13
72 KRMMRPYWWH 0.13
73 DYMMRPYRWH 0.13
74 KYMWRPYWWR 0.13
75 DRMWRPYWWH 0.13
76 DYLPRPYFWH 0.13
77 KYMMRPYRWR 0.14
78 DYMWRPYRWR 0.14
79 HYLPRPYWWH 0.14
80 KRMWRPYRWH 0.14
81 KYMPRNYRWR 0.14
82 KYMWRPYRWR 0.14
83 KRMMRPYRWH 0.14
84 DRLPRPYFWH 0.14
85 KRMWRPYWWR 0.14
86 KYLPRPYFWR 0.14
87 DRMWRPYRWH 0.14
88 DRMMRPYRWH 0.14
89 KRMMRPYWWR 0.14
90 DYMMRPYRWR 0.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HYMPRPYRWH

3.94

-15.69

-11.75
2 HYMPRPYRWR

3.95

-15.61

-11.66
3 KYMPRPYRWH

3.81

-15.39

-11.58
4 KRMPRPYRWH

3.89

-15.33

-11.44
5 DRMPRPYRWH

4.09

-15.35

-11.26
6 DRMPRPYRWR

3.73

-14.96

-11.23
7 KYMPRPYRWR

4.25

-15.06

-10.81
8 DYMPRPYRWR

4.3

-15.09

-10.79
9 DYMPRPYFWR

3.94

-14.29

-10.35
10 HYMPRPYWWH

3.92

-14.21

-10.29
11 KYMPRPYWWR

3.82

-13.37

-9.55
12 KRMPRPYWWH

3.74

-13.22

-9.48
13 HYMPRPYWWR

3.96

-13.35

-9.39
14 DYMPRPYRWH

4.34

-13.62

-9.28
15 DYMPRPYFWH

3.22

-12.29

-9.07
16 KRMPRPYRWR

4.06

-13.1

-9.04
17 DRMPRPYFWH

2.95

-11.95

-9.0
18 KYMPRPYFWR

3.33

-12.05

-8.72
19 KRMPRPYFWH

3.04

-11.56

-8.52
20 KYMPRPYWWH

3.95

-12.43

-8.48
21 DRMPRPYWWH

3.66

-12.03

-8.37
22 KYMPRPYFWH

4.0

-12.33

-8.33
23 KRMPRPYFWR

3.06

-11.31

-8.25
24 DYMPRPYWWR

4.0

-12.24

-8.24
25 DRMPRPYWWR

3.08

-11.23

-8.15
26 DYLPRPYWWH

3.84

-11.93

-8.09
27 KYLPRPYWWH

3.98

-11.76

-7.78
28 DYMPRPYWWH

3.78

-11.52

-7.74
29 HRMPRPYWWH

3.97

-11.66

-7.69
30 KRMPRPYWWR

4.54

-11.49

-6.95

 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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