Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-28.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 3.672 ΔGbinding -0.792
TOTAL
 2.880
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.238 Torsional clash 0.681
Van der Waals -5.241 Backbone clash 0.165
Electrostatics 0.215 Helix dipole 0.000
Solvation Polar 6.051 Water bridges 0.010
Solvation Hyd -7.240 Disulfide 0.000
VdW clashes 2.666 Electrost. Kon 0.284
Entropy sc 1.154 Part.cov.bonds 0.000
Entropy mc

3.140

 ΔGstability

14.910
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRIHRKPRR 0.0
2 RKRIHRKKRR 0.0
3 RKRIHRKPNR 0.01
4 RKRIHRKKNR 0.01
5 RKPIHRKPRR 0.09
6 RKRIHRKRRR 0.09
7 RKRIHRKRNR 0.09
8 RKPIHRKKRR 0.09
9 RKPIHRKPNR 0.1
10 RKRIHRKKSR 0.1
11 RKPIHRKKNR 0.1
12 RKRIHRKPSR 0.11
13 RKHIHRKPRR 0.14
14 RKHIHRKKRR 0.14
15 RKRIHPKKRR 0.15
16 RKHIHRKPNR 0.15
17 RKHIHRKKNR 0.15
18 RKRIHPKPRR 0.15
19 RKRIHPKKNR 0.16
20 RKRIHPKPNR 0.16
21 RKPIHRKRRR 0.18
22 RKPIHRKRNR 0.18
23 RKRIHRKRSR 0.19
24 RKPIHRKKSR 0.2
25 RKPIHRKPSR 0.2
26 RKHIHRKRRR 0.23
27 RKRRHRKKRR 0.23
28 RKRRHRKPRR 0.23
29 RKRIHPKRRR 0.24
30 RKPIHPKPRR 0.24
31 RKHIHRKRNR 0.24
32 RKRRHRKKNR 0.24
33 RKPIHPKKRR 0.24
34 RKRRHRKPNR 0.24
35 RKHIHRKKSR 0.25
36 RKPIHPKPNR 0.25
37 RKHIHRKPSR 0.25
38 RKPIHPKKNR 0.25
39 RKRIHPKRNR 0.25
40 RKRIHPKPSR 0.26
41 RKRIHPKKSR 0.26
42 RKPIHRKRSR 0.28
43 RKHIHPKKRR 0.3
44 RRRIHRKKRR 0.3
45 RRRIHRKPRR 0.3
46 RKHIHPKPNR 0.3
47 RKHIHPKKNR 0.3
48 RKHIHPKPRR 0.3
49 RRRIHRKKNR 0.31
50 RRRIHRKPNR 0.31
51 RKPRHRKPRR 0.32
52 RKRRHRKRRR 0.32
53 RKPRHRKKRR 0.32
54 RKPRHRKPNR 0.33
55 RKPRHRKKNR 0.33
56 RKPIHPKRRR 0.33
57 RKRRHRKRNR 0.33
58 RKRRHRKKSR 0.34
59 RKPIHPKRNR 0.34
60 RKRRHRKPSR 0.34
61 RKHIHRKRSR 0.34
62 RKRFHRKKNR 0.35
63 RKRFHRKPRR 0.35
64 RKPIHPKPSR 0.35
65 RKRFHRKPNR 0.35
66 RKPIHPKKSR 0.35
67 RKRIHPKRSR 0.35
68 RKRFHRKKRR 0.35
69 RKHRHRKPRR 0.37
70 RKHRHRKKRR 0.37
71 RKHRHRKKNR 0.38
72 RKRRHPKPRR 0.38
73 RKHRHRKPNR 0.38
74 RKRRHPKKRR 0.38
75 RKHIHPKRRR 0.38
76 RRPIHRKKRR 0.39
77 RRPIHRKPRR 0.39
78 RKRRHPKPNR 0.39
79 RKRRHPKKNR 0.39
80 RKHIHPKRNR 0.39
81 RRRIHRKRRR 0.39
82 RRPIHRKKNR 0.4
83 RKHIHPKKSR 0.4
84 RKHIHPKPSR 0.4
85 RRPIHRKPNR 0.4
86 RRRIHRKRNR 0.4
87 RKPRHRKRRR 0.41
88 RRRIHRKPSR 0.41
89 RRRIHRKKSR 0.41
90 RKPRHRKRNR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKHIHRKRRR

3.54

-16.63

-13.09
2 RKRIHRKKRR

4.05

-15.2

-11.15
3 RKRIHPKKRR

3.53

-14.64

-11.11
4 RKRIHRKPRR

3.7

-14.49

-10.79
5 RKRIHRKRNR

3.03

-13.66

-10.63
6 RKRIHPKKNR

3.56

-14.17

-10.61
7 RKRIHPKRRR

2.97

-13.31

-10.34
8 RKRIHRKRSR

4.3

-14.5

-10.2
9 RKPIHRKKRR

3.15

-13.01

-9.86
10 RKRIHRKRRR

4.3

-13.95

-9.65
11 RKPIHRKRRR

3.19

-12.5

-9.31
12 RKRRHRKKRR

3.88

-13.07

-9.19
13 RKHIHRKKRR

3.24

-12.42

-9.18
14 RKRIHPKPRR

3.46

-12.41

-8.95
15 RKPIHRKKSR

3.41

-12.35

-8.94
16 RKRIHRKPSR

4.08

-12.63

-8.55
17 RKHIHRKKNR

3.59

-12.08

-8.49
18 RKRIHRKKNR

3.72

-12.01

-8.29
19 RKRIHRKKSR

3.73

-11.98

-8.25
20 RKPIHRKKNR

3.52

-11.69

-8.17
21 RKRRHRKPRR

4.15

-12.11

-7.96
22 RKPIHPKPRR

3.45

-10.61

-7.16
23 RKPIHRKPRR

3.77

-10.82

-7.05
24 RKHIHRKPNR

4.12

-10.77

-6.65
25 RKPIHRKPSR

3.6

-10.19

-6.59
26 RKPIHRKRNR

3.4

-9.94

-6.54
27 RKRIHPKPNR

3.63

-10.08

-6.45
28 RKPIHRKPNR

3.51

-9.85

-6.34
29 RKHIHRKPRR

3.81

-10.13

-6.32
30 RKRIHRKPNR

4.05

-9.49

-5.44

 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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