Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-18.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 G
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 4.672 ΔGbinding 1.127
TOTAL
 5.799
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.330
Van der Waals -3.487 Backbone clash 0.978
Electrostatics 0.307 Helix dipole 0.000
Solvation Polar 3.212 Water bridges -0.005
Solvation Hyd -5.266 Disulfide 0.000
VdW clashes 2.490 Electrost. Kon 0.323
Entropy sc 0.310 Part.cov.bonds 0.000
Entropy mc

2.913

 ΔGstability

88.067
       

Predicted ligand sequences for model [SLA1-D2_1JO8-18.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_1JO8-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKIKSRRWW 0.0
2 RPHIKSRRWW 0.02
3 RPKIKSRRFW 0.02
4 RPHIKSRRFW 0.04
5 RPKIKGRRWW 0.09
6 RFKIKSRRWW 0.1
7 RPKIKGRRFW 0.11
8 RPHIKGRRWW 0.11
9 RFHIKSRRWW 0.12
10 RPPIKSRRWW 0.13
11 RPHIKGRRFW 0.13
12 RFKIKSRRFW 0.13
13 RPPIKSRRFW 0.15
14 RFHIKSRRFW 0.15
15 RFKIKGRRWW 0.19
16 RFKIKGRRFW 0.21
17 RFHIKGRRWW 0.21
18 RPPIKGRRWW 0.22
19 RFHIKGRRFW 0.23
20 RPPIKGRRFW 0.24
21 RFPIKSRRWW 0.24
22 RPKIRSRRWW 0.26
23 RFPIKSRRFW 0.26
24 RPKIKSRYWW 0.28
25 RPHIRSRRWW 0.28
26 RPKINSRRWW 0.28
27 RPKIRSRRFW 0.28
28 RPHIRSRRFW 0.3
29 RPKINSRRFW 0.3
30 RPKIKSRYFW 0.3
31 RHKIKSRRWW 0.3
32 RPHINSRRWW 0.3
33 RPHIKSRYWW 0.3
34 RHKIKSRRFW 0.32
35 RHHIKSRRWW 0.32
36 RFPIKGRRWW 0.32
37 RPHIKSRYFW 0.32
38 RPHINSRRFW 0.33
39 RPKIKSIRWW 0.33
40 RHHIKSRRFW 0.34
41 RPHIKSIRWW 0.35
42 RPKIRGRRWW 0.35
43 RFPIKGRRFW 0.35
44 RPKIKSIRFW 0.35
45 RFKIRSRRWW 0.36
46 RPKIKGRYWW 0.36
47 RPKINGRRWW 0.37
48 RPKIKSRRYW 0.37
49 RPHIRGRRWW 0.37
50 RPKIRGRRFW 0.37
51 RPHIKSIRFW 0.37
52 RHKIKGRRWW 0.38
53 RFHIRSRRWW 0.38
54 RFKIKSRYWW 0.38
55 RFKINSRRWW 0.39
56 RPHIKGRYWW 0.39
57 RFKIRSRRFW 0.39
58 RPKINGRRFW 0.39
59 RPHINGRRWW 0.39
60 RPPIRSRRWW 0.39
61 RPHIKSRRYW 0.39
62 RPHIRGRRFW 0.39
63 RPKIKGRYFW 0.39
64 RFKIKSRYFW 0.4
65 RFHIKSRYWW 0.4
66 RHHIKGRRWW 0.4
67 RFKINSRRFW 0.41
68 RPPINSRRWW 0.41
69 RFHIRSRRFW 0.41
70 RHKIKGRRFW 0.41
71 RPHINGRRFW 0.41
72 RPPIRSRRFW 0.41
73 RFHINSRRWW 0.41
74 RPPIKSRYWW 0.41
75 RPHIKGRYFW 0.41
76 RPKIKGIRWW 0.42
77 RFHIKSRYFW 0.42
78 RPPIKSRYFW 0.43
79 RHPIKSRRWW 0.43
80 RFHINSRRFW 0.43
81 RFKIKSIRWW 0.43
82 RHHIKGRRFW 0.43
83 RPHIKGIRWW 0.44
84 RPPINSRRFW 0.44
85 RPKIKGIRFW 0.44
86 RFKIRGRRWW 0.45
87 RHPIKSRRFW 0.45
88 RPKIKGRRYW 0.45
89 RPKIKRRRWW 0.45
90 RFHIKSIRWW 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHIKGRRWW

3.69

-9.32

-5.63
2 RFHIKGRRWW

4.07

-9.67

-5.6
3 RPPIKGRRWW

4.43

-9.65

-5.22
4 RPKIKSRRFW

6.12

-10.96

-4.84
5 RPHIKSRRFW

5.2

-9.95

-4.75
6 RPHIKGRRFW

3.37

-8.06

-4.69
7 RPPIKGRRFW

2.83

-7.52

-4.69
8 RFKIKGRRWW

3.59

-7.88

-4.29
9 RPKIRSRRWW

5.74

-9.66

-3.92
10 RPHIRSRRWW

6.47

-10.38

-3.91
11 RPKIKGRRFW

4.07

-7.95

-3.88
12 RPHIRSRRFW

5.75

-9.17

-3.42
13 RFKIKGRRFW

2.85

-6.27

-3.42
14 RPKIKGRRWW

5.74

-9.07

-3.33
15 RPKIKSRRWW

5.83

-9.16

-3.33
16 RPPIKSRRWW

5.99

-9.18

-3.19
17 RPPIKSRRFW

4.76

-7.94

-3.18
18 RPHIKSRRWW

6.08

-9.04

-2.96
19 RPKINSRRWW

6.32

-9.23

-2.91
20 RPKIRSRRFW

4.85

-7.25

-2.4
21 RFKIKSRRWW

5.81

-7.96

-2.15
22 RFHIKSRRWW

5.74

-7.84

-2.1
23 RFHIKSRRFW

4.86

-6.87

-2.01
24 RFHIKGRRFW

5.28

-7.08

-1.8
25 RPKINSRRFW

5.93

-7.56

-1.63
26 RFPIKSRRWW

7.34

-8.57

-1.23
27 RPKIKSRYWW

5.61

-6.7

-1.09
28 RPKIKSRYFW

5.75

-6.81

-1.06
29 RFPIKSRRFW

6.43

-6.94

-0.51
30 RFKIKSRRFW

7.5

-6.39

1.11

 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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