Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-21.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
 G
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 1.317 ΔGbinding -1.608
TOTAL
 -0.291
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.203
Van der Waals -2.271 Backbone clash 0.081
Electrostatics 0.088 Helix dipole 0.000
Solvation Polar 2.217 Water bridges -0.001
Solvation Hyd -3.288 Disulfide 0.000
VdW clashes 0.539 Electrost. Kon 0.054
Entropy sc 0.538 Part.cov.bonds 0.000
Entropy mc

1.589

 ΔGstability

70.516
       

Predicted ligand sequences for model [SLA1-D2_1OV33-21.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_1OV33-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWRLGRPTRR 0.0
2 WWRLRRPTRR 0.1
3 WFRLGRPTRR 0.15
4 WWRIGRPTRR 0.16
5 WWKLGRPTRR 0.17
6 WWILGRPTRR 0.17
7 HWRLGRPTRR 0.18
8 WWRLHRPTRR 0.24
9 WFRLRRPTRR 0.25
10 WWRIRRPTRR 0.26
11 WWILRRPTRR 0.26
12 WWKLRRPTRR 0.27
13 FWRLGRPTRR 0.28
14 HWRLRRPTRR 0.28
15 WFRIGRPTRR 0.32
16 WFILGRPTRR 0.32
17 WFKLGRPTRR 0.33
18 WWIIGRPTRR 0.33
19 WWKIGRPTRR 0.34
20 HFRLGRPTRR 0.34
21 WWRLGRPTRK 0.35
22 WWRLGRTTRR 0.35
23 HWRIGRPTRR 0.35
24 HWILGRPTRR 0.35
25 HWKLGRPTRR 0.36
26 FWRLRRPTRR 0.37
27 WFRLHRPTRR 0.4
28 WWILHRPTRR 0.41
29 WWRIHRPTRR 0.41
30 WFRIRRPTRR 0.42
31 WWKLHRPTRR 0.42
32 WFILRRPTRR 0.42
33 FFRLGRPTRR 0.43
34 WFKLRRPTRR 0.43
35 HWRLHRPTRR 0.43
36 WWKIRRPTRR 0.43
37 WWIIRRPTRR 0.43
38 HWRIRRPTRR 0.44
39 HFRLRRPTRR 0.44
40 FWRIGRPTRR 0.44
41 WWRLRRPTRK 0.44
42 FWILGRPTRR 0.44
43 WWRLRRTTRR 0.45
44 FWKLGRPTRR 0.45
45 HWILRRPTRR 0.45
46 HWKLRRPTRR 0.46
47 WFIIGRPTRR 0.48
48 WWRLGRQTRR 0.49
49 WFKIGRPTRR 0.49
50 WFRLGRPTRK 0.5
51 HFRIGRPTRR 0.5
52 HFILGRPTRR 0.51
53 WWRIGRPTRK 0.51
54 HFKLGRPTRR 0.51
55 WFRLGRTTRR 0.51
56 HWIIGRPTRR 0.52
57 HWKIGRPTRR 0.52
58 WWKLGRPTRK 0.52
59 WWRIGRTTRR 0.52
60 WWILGRTTRR 0.52
61 FWRLHRPTRR 0.52
62 WWILGRPTRK 0.52
63 HWRLGRPTRK 0.53
64 WWKLGRTTRR 0.53
65 FFRLRRPTRR 0.53
66 HWRLGRTTRR 0.54
67 FWILRRPTRR 0.54
68 FWRIRRPTRR 0.54
69 FWKLRRPTRR 0.55
70 WFILHRPTRR 0.56
71 WFRIHRPTRR 0.56
72 WFKLHRPTRR 0.57
73 WWIIHRPTRR 0.57
74 WWKIHRPTRR 0.58
75 WFIIRRPTRR 0.58
76 HFRLHRPTRR 0.58
77 HWILHRPTRR 0.59
78 WWRLHRTTRR 0.59
79 FFRIGRPTRR 0.59
80 HWRIHRPTRR 0.59
81 WWRLHRPTRK 0.59
82 WWRLRRQTRR 0.59
83 WFKIRRPTRR 0.59
84 FFILGRPTRR 0.6
85 HFILRRPTRR 0.6
86 HFRIRRPTRR 0.6
87 HWKLHRPTRR 0.6
88 FFKLGRPTRR 0.6
89 WFRLRRTTRR 0.6
90 WFRLRRPTRK 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WWRIGRPTRR

5.22

-9.09

-3.87
2 WFILGRPTRR

5.94

-9.0

-3.06
3 WWKLGRPTRR

5.94

-8.95

-3.01
4 FWRLGRPTRR

6.08

-8.79

-2.71
5 WWRLGRPTRR

5.92

-8.6

-2.68
6 WFKLGRPTRR

5.85

-8.48

-2.63
7 HWKLGRPTRR

5.85

-8.4

-2.55
8 WWRLGRTTRR

5.79

-8.3

-2.51
9 WWRLRRPTRR

7.92

-10.4

-2.48
10 WWRLGRPTRK

6.09

-8.52

-2.43
11 WFRLGRPTRR

6.75

-9.14

-2.39
12 WWILGRPTRR

5.54

-7.92

-2.38
13 HWRLGRPTRR

5.94

-7.86

-1.92
14 WWKIGRPTRR

6.31

-8.21

-1.9
15 WWIIGRPTRR

5.62

-7.42

-1.8
16 WFRLRRPTRR

7.86

-9.61

-1.75
17 WWRIHRPTRR

7.29

-8.94

-1.65
18 HFRLGRPTRR

5.92

-7.44

-1.52
19 HWILGRPTRR

6.43

-7.88

-1.45
20 WFRIGRPTRR

6.73

-8.15

-1.42
21 WWKLRRPTRR

7.51

-8.86

-1.35
22 WFRLHRPTRR

7.93

-9.22

-1.29
23 WWILRRPTRR

7.9

-9.12

-1.22
24 WWRIRRPTRR

7.43

-8.35

-0.92
25 HWRLRRPTRR

7.78

-8.66

-0.88
26 WWRLHRPTRR

8.67

-9.5

-0.83
27 WWILHRPTRR

7.49

-8.28

-0.79
28 HWRIGRPTRR

7.03

-7.79

-0.76
29 FWRLRRPTRR

8.29

-8.85

-0.56
30 WFRIRRPTRR

8.63

-8.41

0.22

 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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