Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-2.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 6.242 ΔGbinding -6.289
TOTAL
 -0.047
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.998
Van der Waals -5.710 Backbone clash 0.065
Electrostatics -0.191 Helix dipole 0.000
Solvation Polar 7.102 Water bridges -0.239
Solvation Hyd -8.276 Disulfide 0.000
VdW clashes 0.538 Electrost. Kon -0.298
Entropy sc 1.629 Part.cov.bonds 0.000
Entropy mc

2.483

 ΔGstability

17.881
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRPPERR 0.0
2 RRRRRPPERH 0.0
3 RRRRRSPERR 0.0
4 RRRRRSPERH 0.0
5 RRRRRPKERH 0.07
6 RRRRRPKERR 0.07
7 RRRRRSKERR 0.07
8 RRRRRSKERH 0.07
9 RRRRNPPERH 0.1
10 RRRRNPPERR 0.1
11 RRRRNSPERH 0.1
12 RRRRNSPERR 0.1
13 RRKRRSPERR 0.12
14 RRKRRSPERH 0.12
15 RRKRRPPERH 0.12
16 RRKRRPPERR 0.12
17 RRPRRPPERH 0.16
18 RRPRRSPERR 0.16
19 RRPRRSPERH 0.16
20 RRPRRPPERR 0.17
21 RRRRNSKERR 0.17
22 RRRRNPKERH 0.17
23 RRRRNSKERH 0.17
24 RRRRNPKERR 0.17
25 RRKRRPKERR 0.19
26 RRKRRPKERH 0.19
27 RRKRRSKERH 0.19
28 RRKRRSKERR 0.19
29 RRKRNPPERH 0.22
30 RRKRNSPERR 0.22
31 RRKRNSPERH 0.22
32 RRKRNPPERR 0.22
33 RRPRRPKERH 0.23
34 RRPRRSKERH 0.23
35 RRRRRPIERH 0.24
36 RRRRRPIERR 0.24
37 RRRRRSIERR 0.24
38 RRRRRSIERH 0.24
39 RRPRRSKERR 0.24
40 RRPRRPKERR 0.24
41 RRPRNSPERR 0.26
42 RRPRNPPERR 0.26
43 RRPRNPPERH 0.26
44 RRPRNSPERH 0.26
45 RRKRNSKERR 0.29
46 RRKRNPKERH 0.29
47 RRKRNPKERR 0.29
48 RRKRNSKERH 0.29
49 RRPRNPKERH 0.33
50 RRRRNSIERH 0.33
51 RRPRNSKERH 0.33
52 RRPRNSKERR 0.34
53 RRRRNPIERH 0.34
54 RRRRNPIERR 0.34
55 RRRRNSIERR 0.34
56 RRPRNPKERR 0.34
57 RRKRRPIERH 0.35
58 RRKRRSIERH 0.35
59 RRKRRPIERR 0.36
60 RRKRRSIERR 0.36
61 RRRRRSPFRR 0.37
62 RRRRRSPFRH 0.37
63 RRRRRPPFRR 0.37
64 RRRRRPPFRH 0.37
65 RRPRRSIERH 0.4
66 RRPRRSIERR 0.4
67 RRPRRPIERH 0.4
68 RRPRRPIERR 0.4
69 RRRRHPPERH 0.43
70 RRRRHSPERH 0.43
71 RRRRHPPERR 0.44
72 RRRRRSKFRR 0.44
73 RRRRRPKFRR 0.44
74 RRRRRPKFRH 0.44
75 RRRRRSKFRH 0.44
76 RRRRHSPERR 0.44
77 RRKRNSIERR 0.45
78 RRKRNSIERH 0.45
79 RRKRNPIERH 0.45
80 RRKRNPIERR 0.46
81 RRRRNSPFRR 0.47
82 RRRRNPPFRH 0.47
83 RRRRNPPFRR 0.47
84 RRRRNSPFRH 0.47
85 RRKRRSPFRR 0.49
86 RRKRRSPFRH 0.49
87 RRKRRPPFRH 0.49
88 RRKRRPPFRR 0.49
89 RRPRNPIERR 0.5
90 RRPRNSIERR 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRRRSPERR

5.27

-14.92

-9.65
2 RRPRRSPERH

4.84

-13.85

-9.01
3 RRRRNPPERH

4.82

-13.34

-8.52
4 RRKRRPPERH

5.79

-14.2

-8.41
5 RRKRRSPERH

5.34

-13.65

-8.31
6 RRPRRPPERH

4.91

-13.04

-8.13
7 RRPRRSPERR

5.27

-13.12

-7.85
8 RRPRRPPERR

5.05

-12.87

-7.82
9 RRRRRPKERR

5.0

-12.81

-7.81
10 RRRRRPKERH

5.04

-12.78

-7.74
11 RRRRRPPERR

5.07

-12.8

-7.73
12 RRRRRSKERR

5.54

-13.06

-7.52
13 RRKRRPKERH

4.96

-12.46

-7.5
14 RRRRRSPERH

5.22

-12.57

-7.35
15 RRRRRSKERH

5.14

-12.48

-7.34
16 RRRRNSPERH

5.0

-12.15

-7.15
17 RRKRNPPERH

4.82

-11.93

-7.11
18 RRRRRPPERH

5.02

-12.1

-7.08
19 RRKRRSKERR

5.12

-12.17

-7.05
20 RRKRRPKERR

5.06

-11.86

-6.8
21 RRKRRSPERR

5.89

-12.67

-6.78
22 RRKRRPPERR

5.05

-11.82

-6.77
23 RRRRNPPERR

4.86

-11.61

-6.75
24 RRRRNPKERR

5.09

-11.28

-6.19
25 RRKRRSKERH

5.34

-11.43

-6.09
26 RRRRNSPERR

5.24

-11.29

-6.05
27 RRRRNPKERH

4.92

-10.9

-5.98
28 RRRRNSKERR

5.27

-10.8

-5.53
29 RRRRNSKERH

5.4

-10.82

-5.42
30 RRKRNSPERR

5.2

-10.09

-4.89

 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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