Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-7.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
G
 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 4.314 ΔGbinding 3.507
TOTAL
 7.821
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.617
Van der Waals -3.719 Backbone clash 0.000
Electrostatics 0.433 Helix dipole 0.000
Solvation Polar 5.052 Water bridges -0.106
Solvation Hyd -4.663 Disulfide 0.000
VdW clashes 2.435 Electrost. Kon 0.554
Entropy sc 0.209 Part.cov.bonds 0.000
Entropy mc

2.695

 ΔGstability

88.086
       

Predicted ligand sequences for model [SLA1-D2_1JO8-7.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_1JO8-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 IDRINKRR 0.0
2 IDRINKFR 0.03
3 IDRINKYR 0.05
4 IDRINKRK 0.07
5 YDRINKRR 0.09
6 IDRINKFK 0.09
7 YDRINKFR 0.12
8 MDRINKRR 0.12
9 IDRINKYK 0.12
10 MDRINKFR 0.14
11 IDRINKRH 0.15
12 YDRINKYR 0.15
13 YDRINKRK 0.16
14 MDRINKYR 0.17
15 YDRINKFK 0.18
16 MDRINKRK 0.18
17 IDRINKFH 0.18
18 IMRINKRR 0.2
19 IDRINKYH 0.2
20 YDRINKYK 0.21
21 MDRINKFK 0.21
22 IMRINKFR 0.23
23 YDRINKRH 0.24
24 MDRINKYK 0.24
25 IDRINTRR 0.26
26 IMRINKYR 0.26
27 IDRINSRR 0.27
28 IDRRNKRR 0.27
29 IMRINKRK 0.27
30 MDRINKRH 0.27
31 YDRINKFH 0.27
32 IDRINTFR 0.28
33 IDRRNKFR 0.29
34 YDRINKYH 0.29
35 IDRIGKRR 0.29
36 MDRINKFH 0.29
37 IMRINKFK 0.3
38 IDRINSFR 0.3
39 IDRIRKRR 0.3
40 YMRINKRR 0.3
41 IDRINTYR 0.31
42 IDRRNKYR 0.32
43 MMRINKRR 0.32
44 IDRINTRK 0.32
45 YMRINKFR 0.32
46 IDRINSYR 0.32
47 IDRMNKRR 0.32
48 MDRINKYH 0.32
49 IMRINKYK 0.32
50 IDRIGKFR 0.32
51 IDRINSRK 0.33
52 IDRRNKRK 0.33
53 IDRIRKFR 0.33
54 IDRIGKYR 0.34
55 IDRIRKYR 0.35
56 YMRINKYR 0.35
57 IDRIGKRK 0.35
58 IDRINTFK 0.35
59 IMRINKRH 0.35
60 MMRINKFR 0.35
61 YDRINTRR 0.35
62 IDRMNKFR 0.35
63 IDRINSFK 0.36
64 IDRRNKFK 0.36
65 YDRRNKRR 0.36
66 YDRINSRR 0.36
67 YMRINKRK 0.36
68 IDRINTYK 0.37
69 YDRINTFR 0.37
70 MDRINTRR 0.37
71 IDRIRKRK 0.37
72 MMRINKYR 0.37
73 IMRINKFH 0.38
74 MDRRNKRR 0.38
75 YDRIGKRR 0.38
76 IDRIGKFK 0.38
77 IDRMNKYR 0.38
78 IDRRNKYK 0.39
79 MDRINSRR 0.39
80 YDRINSFR 0.39
81 MMRINKRK 0.39
82 IDRIRKFK 0.39
83 YDRIRKRR 0.39
84 YMRINKFK 0.39
85 IDRINSYK 0.39
86 IDRMNKRK 0.39
87 YDRRNKFR 0.39
88 MDRIGKRR 0.4
89 YDRINTYR 0.4
90 IDRINTRH 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IMRINKFR

3.08

-8.39

-5.31
2 IMRINKRR

3.19

-7.95

-4.76
3 YDRINKRK

3.52

-7.89

-4.37
4 IMRINKYR

3.48

-7.78

-4.3
5 IDRINKFK

3.17

-7.3

-4.13
6 IDRINKFR

3.21

-7.2

-3.99
7 YDRINKFR

3.55

-7.29

-3.74
8 IDRRNKRR

3.09

-6.63

-3.54
9 IDRINKRH

3.44

-6.86

-3.42
10 MDRINKFK

3.2

-6.6

-3.4
11 IDRINTRR

3.49

-6.8

-3.31
12 IDRINKYK

2.92

-6.22

-3.3
13 MDRINKRH

3.27

-6.35

-3.08
14 IDRINKRR

3.46

-6.52

-3.06
15 IDRINKYH

3.01

-5.87

-2.86
16 IDRINSRR

3.92

-6.71

-2.79
17 MDRINKYR

3.21

-5.99

-2.78
18 MDRINKYK

3.26

-5.54

-2.28
19 YDRINKRH

3.3

-5.58

-2.28
20 IDRINKRK

3.34

-5.56

-2.22
21 IMRINKRK

3.04

-5.22

-2.18
22 YDRINKFK

3.32

-5.39

-2.07
23 MDRINKFR

3.57

-5.64

-2.07
24 MDRINKRK

3.65

-5.63

-1.98
25 YDRINKRR

3.24

-5.22

-1.98
26 MDRINKRR

3.5

-5.27

-1.77
27 YDRINKYR

3.06

-4.66

-1.6
28 IDRINKYR

3.52

-4.8

-1.28
29 YDRINKYK

3.63

-4.34

-0.71
30 IDRINKFH

3.64

-2.86

0.78

 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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