Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-5.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 4.718 ΔGbinding -2.516
TOTAL
 2.202
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.544
Van der Waals -6.002 Backbone clash 0.086
Electrostatics -0.308 Helix dipole 0.000
Solvation Polar 7.156 Water bridges -0.099
Solvation Hyd -8.589 Disulfide 0.000
VdW clashes 3.202 Electrost. Kon -0.445
Entropy sc 1.107 Part.cov.bonds 0.000
Entropy mc

2.966

 ΔGstability

86.007
       

Predicted ligand sequences for model [SLA1-D2_1JO8-5.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_1JO8-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 IRRWHFHPHF 0.0
2 IRRWHFHEHF 0.02
3 IRRWHFHDHF 0.03
4 IRRWHFHPHW 0.04
5 IRRWHFHEHW 0.06
6 IRRWHFHDHW 0.07
7 TRRWHFHPHF 0.09
8 TRRWHFHEHF 0.11
9 IRHWHFHPHF 0.12
10 TRRWHFHDHF 0.12
11 TRRWHFHPHW 0.13
12 IRHWHFHEHF 0.14
13 TRRWHFHEHW 0.15
14 IRHWHFHDHF 0.15
15 IRHWHFHPHW 0.16
16 TRRWHFHDHW 0.16
17 IRFWHFHPHF 0.17
18 IRHWHFHEHW 0.18
19 IRHWHFHDHW 0.19
20 IRFWHFHEHF 0.2
21 IRFWHFHDHF 0.21
22 TRHWHFHPHF 0.21
23 IRFWHFHPHW 0.21
24 TRHWHFHEHF 0.23
25 IRFWHFHDHW 0.24
26 TRHWHFHDHF 0.24
27 IRFWHFHEHW 0.24
28 TRHWHFHPHW 0.25
29 IRRWHFHPHP 0.27
30 TRHWHFHEHW 0.27
31 IRRWHFRPHF 0.27
32 TRFWHFHPHF 0.27
33 TRHWHFHDHW 0.28
34 TRFWHFHEHF 0.29
35 IRRWHFHEHP 0.29
36 IRRWHFREHF 0.29
37 IRRWHFHDHP 0.3
38 IRRWHFRDHF 0.3
39 TRFWHFHDHF 0.3
40 IRRWHFRPHW 0.3
41 TRFWHFHPHW 0.3
42 IRRWHFREHW 0.33
43 TRFWHFHEHW 0.33
44 IRRWHFRDHW 0.34
45 IRRWHFWPHF 0.34
46 TRFWHFHDHW 0.34
47 TRRWHFRPHF 0.36
48 TRRWHFHPHP 0.36
49 IRRWHFWEHF 0.37
50 TRRWHFREHF 0.38
51 IRRWHFWDHF 0.38
52 IRRWHFWPHW 0.38
53 IRHWHFRPHF 0.38
54 TRRWHFHEHP 0.38
55 TRRWHFRDHF 0.39
56 IRHWHFHPHP 0.39
57 TRRWHFHDHP 0.39
58 TRRWHFRPHW 0.4
59 IRRWHFWEHW 0.41
60 IRRWHFWDHW 0.41
61 IRHWHFHEHP 0.41
62 IRHWHFREHF 0.41
63 IRHWHFRDHF 0.42
64 TRRWHFREHW 0.42
65 IRHWHFHDHP 0.42
66 IRHWHFRPHW 0.42
67 TRRWHFRDHW 0.43
68 TRRWHFWPHF 0.44
69 IRFWHFHPHP 0.44
70 IRFWHFRPHF 0.44
71 IRHWHFREHW 0.45
72 IRHWHFRDHW 0.46
73 IRFWHFREHF 0.46
74 IRHWHFWPHF 0.46
75 IRFWHFHEHP 0.46
76 TRRWHFWEHF 0.46
77 IRFWHFHDHP 0.47
78 TRRWHFWPHW 0.47
79 TRRWHFWDHF 0.47
80 IRFWHFRDHF 0.47
81 TRHWHFRPHF 0.48
82 IRHWHFWEHF 0.48
83 IRFWHFRPHW 0.48
84 TRHWHFHPHP 0.48
85 IRHWHFWDHF 0.49
86 TRRWHFWEHW 0.5
87 IRFWHFREHW 0.5
88 TRHWHFHEHP 0.5
89 TRHWHFREHF 0.5
90 IRHWHFWPHW 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TRHWHFHEHW

6.27

-10.74

-4.47
2 IRRWHFHPHP

6.45

-10.82

-4.37
3 TRHWHFHDHF

7.53

-11.39

-3.86
4 IRFWHFHDHW

6.61

-10.37

-3.76
5 IRRWHFHEHF

6.99

-10.18

-3.19
6 IRHWHFHPHW

6.11

-8.87

-2.76
7 IRRWHFHDHW

7.23

-9.72

-2.49
8 TRHWHFHPHW

6.72

-9.14

-2.42
9 IRFWHFHEHW

6.83

-9.25

-2.42
10 IRRWHFHEHW

7.21

-9.55

-2.34
11 IRFWHFHEHF

6.25

-8.57

-2.32
12 TRRWHFHEHF

8.5

-10.51

-2.01
13 IRRWHFHPHW

9.17

-11.04

-1.87
14 IRHWHFHDHW

6.75

-7.8

-1.05
15 IRHWHFHPHF

7.61

-8.5

-0.89
16 IRHWHFHEHW

8.54

-9.39

-0.85
17 IRHWHFHDHF

7.85

-8.64

-0.79
18 IRRWHFHPHF

7.91

-8.59

-0.68
19 IRFWHFHPHF

8.63

-8.92

-0.29
20 IRFWHFHDHF

8.16

-8.43

-0.27
21 IRFWHFHPHW

7.37

-7.55

-0.18
22 TRHWHFHPHF

8.68

-8.53

0.15
23 IRHWHFHEHF

8.23

-8.05

0.18
24 IRRWHFHDHF

8.26

-7.1

1.16
25 TRHWHFHEHF

9.23

-7.03

2.2
26 TRRWHFHPHF

8.3

-5.7

2.6
27 TRRWHFHDHW

8.96

-6.3

2.66
28 TRRWHFHDHF

9.84

-5.76

4.08
29 TRRWHFHPHW

8.69

-4.27

4.42
30 TRRWHFHEHW

9.89

-4.44

5.45

 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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