Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-12.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 8.665 ΔGbinding -0.534
TOTAL
 8.131
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.573
Van der Waals -2.404 Backbone clash 0.000
Electrostatics 0.083 Helix dipole 0.000
Solvation Polar 3.417 Water bridges -0.176
Solvation Hyd -3.151 Disulfide 0.000
VdW clashes 1.130 Electrost. Kon 0.082
Entropy sc 0.330 Part.cov.bonds 0.000
Entropy mc

1.359

 ΔGstability

89.674
       

Predicted ligand sequences for model [SLA1-D2_1JO8-12.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_1JO8-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRPRWK 0.0
2 RKRRPRWK 0.03
3 RRRRPRWR 0.04
4 RRRRRRWK 0.05
5 KRRRPRWK 0.07
6 RKRRRRWK 0.08
7 RKRRPRWR 0.08
8 RRRRRRWR 0.09
9 KKRRPRWK 0.1
10 KRRRPRWR 0.11
11 KRRRRRWK 0.12
12 WRRRPRWK 0.12
13 RKRRRRWR 0.12
14 RRRRHRWK 0.13
15 KKRRPRWR 0.14
16 KKRRRRWK 0.15
17 WKRRPRWK 0.15
18 KRRRRRWR 0.16
19 WRRRRRWK 0.17
20 WRRRPRWR 0.17
21 RKRRHRWK 0.17
22 RRRRHRWR 0.18
23 KKRRRRWR 0.19
24 KRRRHRWK 0.2
25 WKRRRRWK 0.2
26 WKRRPRWR 0.2
27 WRRRRRWR 0.21
28 RKRRHRWR 0.21
29 KKRRHRWK 0.23
30 KRRRHRWR 0.24
31 WKRRRRWR 0.25
32 WRRRHRWK 0.26
33 KKRRHRWR 0.28
34 WKRRHRWK 0.29
35 WRRRHRWR 0.3
36 WKRRHRWR 0.33
37 RRRRPRRK 0.42
38 RKRRPRRK 0.45
39 RRRRPRWH 0.47
40 RRRRRRRK 0.47
41 RRRRPRRR 0.47
42 KRRRPRRK 0.49
43 RKRRPRRR 0.5
44 RKRRRRRK 0.5
45 RKRRPRWH 0.51
46 RRRRRRWH 0.52
47 RRRRRRRR 0.52
48 KKRRPRRK 0.52
49 KRRRPRRR 0.53
50 KRRRPRWH 0.54
51 WRRRPRRK 0.54
52 KRRRRRRK 0.54
53 RKRRRRWH 0.55
54 RKRRRRRR 0.55
55 RRRRHRRK 0.56
56 KKRRRRRK 0.57
57 KKRRPRWH 0.57
58 KKRRPRRR 0.57
59 WKRRPRRK 0.57
60 KRRRRRRR 0.58
61 RKRRHRRK 0.59
62 KRRRRRWH 0.59
63 WRRRPRRR 0.59
64 WRRRPRWH 0.59
65 WRRRRRRK 0.59
66 RRRRHRRR 0.6
67 KKRRRRRR 0.61
68 RRRRHRWH 0.61
69 KKRRRRWH 0.62
70 KRRRHRRK 0.62
71 WKRRRRRK 0.62
72 WKRRPRRR 0.62
73 RKRRHRRR 0.63
74 WKRRPRWH 0.63
75 WRRRRRWH 0.64
76 RKRRHRWH 0.64
77 WRRRRRRR 0.64
78 KKRRHRRK 0.65
79 KRRRHRWH 0.67
80 KRRRHRRR 0.67
81 WKRRRRRR 0.67
82 WRRRHRRK 0.68
83 WKRRRRWH 0.68
84 KKRRHRWH 0.7
85 KKRRHRRR 0.7
86 WKRRHRRK 0.71
87 WRRRHRRR 0.72
88 WRRRHRWH 0.73
89 WKRRHRRR 0.75
90 WKRRHRWH 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRRRRRWK

5.29

-10.53

-5.24
2 RRRRRRWR

5.52

-10.48

-4.96
3 WRRRPRWR

5.03

-9.92

-4.89
4 RKRRPRWR

5.29

-10.13

-4.84
5 RKRRRRWR

5.16

-9.95

-4.79
6 KKRRPRWR

5.64

-10.17

-4.53
7 KRRRPRWK

5.64

-10.15

-4.51
8 KRRRPRWR

5.31

-9.78

-4.47
9 RKRRPRWK

5.51

-9.96

-4.45
10 WKRRPRWK

5.56

-9.98

-4.42
11 KKRRPRWK

5.28

-9.65

-4.37
12 RKRRRRWK

5.77

-10.13

-4.36
13 RRRRPRWK

5.7

-10.02

-4.32
14 KRRRRRWR

5.43

-9.52

-4.09
15 WKRRPRWR

5.52

-9.56

-4.04
16 WKRRRRWK

5.25

-8.98

-3.73
17 RRRRHRWR

5.65

-9.28

-3.63
18 KKRRRRWK

5.91

-9.46

-3.55
19 WRRRRRWK

5.74

-9.29

-3.55
20 RRRRPRWR

5.43

-8.89

-3.46
21 WRRRRRWR

5.35

-8.8

-3.45
22 RKRRHRWR

5.63

-8.99

-3.36
23 KRRRHRWK

5.05

-8.41

-3.36
24 KKRRHRWK

5.64

-8.96

-3.32
25 KKRRRRWR

5.67

-8.99

-3.32
26 RRRRHRWK

5.54

-8.81

-3.27
27 RRRRRRWK

5.66

-8.88

-3.22
28 KRRRHRWR

5.54

-8.6

-3.06
29 RKRRHRWK

5.21

-8.18

-2.97
30 WRRRPRWK

5.6

-8.24

-2.64

 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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