Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-9.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 1.587 ΔGbinding -1.934
TOTAL
 -0.347
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.646
Van der Waals -3.871 Backbone clash 0.030
Electrostatics 0.130 Helix dipole 0.000
Solvation Polar 4.570 Water bridges 0.000
Solvation Hyd -5.446 Disulfide 0.000
VdW clashes 0.559 Electrost. Kon 0.145
Entropy sc 1.108 Part.cov.bonds 0.000
Entropy mc

2.775

 ΔGstability

13.416
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRPPKP 0.0
2 RRFRPPKP 0.05
3 RRWRPPKH 0.05
4 RRPRPPKP 0.06
5 RRWRPRKP 0.06
6 RRFRPPKH 0.1
7 RRFRPRKP 0.1
8 RRWRPRKH 0.11
9 RRPRPPKH 0.12
10 RRPRPRKP 0.12
11 RLWRPPKP 0.13
12 RRFRPRKH 0.16
13 RRPRPRKH 0.17
14 RLFRPPKP 0.18
15 RLWRPPKH 0.19
16 RLWRPRKP 0.19
17 RRWRPLKP 0.19
18 RLPRPPKP 0.2
19 RFWRPPKP 0.21
20 RLFRPPKH 0.23
21 RLWRPRKH 0.24
22 RLFRPRKP 0.24
23 RRFRPLKP 0.24
24 RLPRPPKH 0.25
25 RRWRPLKH 0.25
26 RRWRPPWP 0.25
27 RLPRPRKP 0.25
28 RFFRPPKP 0.26
29 RRPRPLKP 0.26
30 RFWRPPKH 0.27
31 RFWRPRKP 0.27
32 RFPRPPKP 0.28
33 RLFRPRKH 0.29
34 RRFRPLKH 0.29
35 RRFRPPWP 0.3
36 RFFRPPKH 0.31
37 RRPRPLKH 0.31
38 RRWRPPWH 0.31
39 RRWRPRWP 0.31
40 RLPRPRKH 0.31
41 RRPRPPWP 0.32
42 RRWRPPFP 0.32
43 RFFRPRKP 0.32
44 RFWRPRKH 0.32
45 RLWRPLKP 0.33
46 RFPRPRKP 0.33
47 RFPRPPKH 0.33
48 RRWFPPKP 0.34
49 RRFRPPWH 0.35
50 RRFRPRWP 0.36
51 RRFRPPFP 0.36
52 RRWRPRWH 0.36
53 RRPRPRWP 0.37
54 RRPRPPWH 0.37
55 RRWRPRFP 0.37
56 RRWRPPFH 0.37
57 RLFRPLKP 0.37
58 RFFRPRKH 0.37
59 RRWRPPKR 0.37
60 RLWRPLKH 0.38
61 RRPRPPFP 0.38
62 KRWRPPKP 0.38
63 RLWRPPWP 0.39
64 RLPRPLKP 0.39
65 RFPRPRKH 0.39
66 HRWRPPKP 0.39
67 RRFFPPKP 0.39
68 RRWFPPKH 0.4
69 RRWFPRKP 0.4
70 RRFRPRWH 0.41
71 RFWRPLKP 0.41
72 RRFRPPKR 0.41
73 RRPFPPKP 0.41
74 RRFRPPFH 0.42
75 RRFRPRFP 0.42
76 RRWRPRKR 0.42
77 RRPRPRWH 0.43
78 RRPRPPFH 0.43
79 RRWRPRFH 0.43
80 KRFRPPKP 0.43
81 HRFRPPKP 0.43
82 RRPRPPKR 0.43
83 RLFRPPWP 0.43
84 KRWRPPKH 0.43
85 RLFRPLKH 0.43
86 KRWRPRKP 0.44
87 RLWRPPWH 0.44
88 RRPRPRFP 0.44
89 RLWRPRWP 0.44
90 RLPRPLKH 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPRPLKP

3.65

-10.64

-6.99
2 RLFRPRKP

3.06

-9.63

-6.57
3 RLPRPPKP

2.92

-8.61

-5.69
4 RRFRPPKP

3.1

-8.76

-5.66
5 RRWRPLKP

3.23

-8.85

-5.62
6 RLFRPPKP

2.83

-8.34

-5.51
7 RRFRPRKP

3.49

-8.98

-5.49
8 RRPRPPKP

2.86

-8.33

-5.47
9 RLWRPPKP

3.32

-8.72

-5.4
10 RRWRPRKP

3.36

-8.75

-5.39
11 RLPRPRKP

3.31

-8.67

-5.36
12 RLPRPPKH

3.34

-8.64

-5.3
13 RLFRPPKH

2.97

-8.27

-5.3
14 RLWRPRKH

2.89

-8.15

-5.26
15 RLWRPRKP

3.06

-8.27

-5.21
16 RRWRPRKH

3.14

-8.25

-5.11
17 RRPRPPKH

3.09

-8.19

-5.1
18 RLWRPPKH

3.42

-8.51

-5.09
19 RRPRPRKP

3.3

-8.38

-5.08
20 RRWRPPKP

3.5

-8.39

-4.89
21 RRFRPPKH

3.65

-8.47

-4.82
22 RRFRPLKP

3.05

-7.83

-4.78
23 RRPRPRKH

3.33

-8.06

-4.73
24 RFWRPPKP

3.71

-8.43

-4.72
25 RRFRPRKH

3.33

-7.97

-4.64
26 RRWRPLKH

3.02

-7.59

-4.57
27 RFFRPPKP

3.22

-7.78

-4.56
28 RRWRPPKH

4.07

-8.25

-4.18
29 RFWRPPKH

3.8

-7.86

-4.06
30 RRWRPPWP

3.51

-6.79

-3.28

 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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