Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-26.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
poly-Ala 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 0.268 ΔGbinding -2.277
TOTAL
 -2.009
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.379
Van der Waals -3.563 Backbone clash 0.040
Electrostatics 0.305 Helix dipole 0.000
Solvation Polar 3.652 Water bridges 0.015
Solvation Hyd -4.841 Disulfide 0.000
VdW clashes 0.016 Electrost. Kon 0.389
Entropy sc 0.475 Part.cov.bonds 0.000
Entropy mc

2.170

 ΔGstability

11.122
       

Predicted ligand sequences for model [LSB3_2A08-26.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).
 
  LSB3_2A08-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDRPRRWPR 0.0
2 DDRPKRWPR 0.07
3 DRRPRRWPR 0.09
4 DDRPRRWHR 0.1
5 DDRPRRWRR 0.11
6 DRRPKRWPR 0.16
7 DDRPKRWHR 0.16
8 DDRPHRWPR 0.16
9 DDRPKRWRR 0.18
10 DRRPRRWHR 0.19
11 DRRPRRWRR 0.2
12 DDRDRRWPR 0.21
13 DRRPHRWPR 0.25
14 DRRPKRWHR 0.25
15 DDRPHRWHR 0.26
16 DDRFRRWPR 0.26
17 DRRPKRWRR 0.27
18 DDRPHRWRR 0.27
19 DERPRRWPR 0.28
20 DDRDKRWPR 0.28
21 DRRDRRWPR 0.3
22 HDRPRRWPR 0.3
23 DDRDRRWHR 0.31
24 DDRDRRWRR 0.32
25 DDRFKRWPR 0.32
26 SDRPRRWPR 0.34
27 DERPKRWPR 0.34
28 DRRPHRWHR 0.35
29 DDRFRRWHR 0.35
30 DRRFRRWPR 0.35
31 HDRPKRWPR 0.36
32 DRRPHRWRR 0.36
33 DDRDHRWPR 0.37
34 DRRDKRWPR 0.37
35 DDRFRRWRR 0.37
36 DDRDKRWHR 0.38
37 DERPRRWHR 0.38
38 HRRPRRWPR 0.39
39 DDRDKRWRR 0.39
40 HDRPRRWHR 0.39
41 DERPRRWRR 0.39
42 DRRDRRWHR 0.4
43 SDRPKRWPR 0.41
44 HDRPRRWRR 0.41
45 DRRFKRWPR 0.41
46 DRRDRRWRR 0.41
47 DDRFHRWPR 0.42
48 DDRFKRWHR 0.42
49 SRRPRRWPR 0.43
50 DERPKRWHR 0.44
51 DRRFRRWHR 0.44
52 DERPHRWPR 0.44
53 SDRPRRWHR 0.44
54 DDRFKRWRR 0.44
55 HRRPKRWPR 0.45
56 SDRPRRWRR 0.45
57 DRRFRRWRR 0.46
58 DRRDKRWHR 0.46
59 HDRPKRWHR 0.46
60 DRRDHRWPR 0.46
61 DERPKRWRR 0.46
62 HDRPHRWPR 0.46
63 DDRDHRWHR 0.47
64 HDRPKRWRR 0.47
65 DDRDHRWRR 0.48
66 DRRDKRWRR 0.48
67 HRRPRRWHR 0.48
68 DERDRRWPR 0.49
69 DDRPRRWPY 0.49
70 SDRPHRWPR 0.5
71 SRRPKRWPR 0.5
72 HRRPRRWRR 0.5
73 SDRPKRWHR 0.5
74 HDRDRRWPR 0.51
75 DRRFHRWPR 0.51
76 DRRFKRWHR 0.51
77 SDRPKRWRR 0.52
78 DDRFHRWHR 0.52
79 DRRFKRWRR 0.53
80 SRRPRRWHR 0.53
81 DDRFHRWRR 0.53
82 SRRPRRWRR 0.54
83 DERFRRWPR 0.54
84 DERPHRWHR 0.54
85 SDRDRRWPR 0.55
86 DERPHRWRR 0.55
87 HRRPHRWPR 0.55
88 HDRFRRWPR 0.55
89 DERDKRWPR 0.55
90 HRRPKRWHR 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRRPRRWHR

1.45

-12.32

-10.87
2 DDRPHRWRR

1.52

-12.0

-10.48
3 DDRPRRWHR

1.51

-11.71

-10.2
4 DDRPKRWRR

1.61

-11.75

-10.14
5 DRRPHRWHR

1.53

-11.64

-10.11
6 DDRPHRWHR

1.42

-11.49

-10.07
7 DRRPRRWPR

1.43

-11.42

-9.99
8 DERPRRWPR

1.52

-11.49

-9.97
9 DRRPKRWPR

1.52

-11.41

-9.89
10 DDRPKRWHR

1.57

-11.41

-9.84
11 DDRFRRWHR

1.9

-11.73

-9.83
12 DDRPRRWPR

1.52

-11.27

-9.75
13 DDRPKRWPR

1.48

-11.16

-9.68
14 DRRPHRWPR

1.51

-11.13

-9.62
15 DRRPKRWHR

1.7

-11.31

-9.61
16 DDRPHRWPR

1.55

-10.67

-9.12
17 DRRDRRWPR

1.71

-10.8

-9.09
18 DERPKRWPR

2.19

-11.27

-9.08
19 DRRPKRWRR

1.95

-10.91

-8.96
20 DRRPRRWRR

1.68

-10.62

-8.94
21 DDRFRRWPR

1.61

-10.41

-8.8
22 DRRFRRWPR

1.55

-10.35

-8.8
23 DDRFKRWPR

1.93

-10.72

-8.79
24 DDRDRRWHR

1.65

-10.26

-8.61
25 DDRPRRWRR

1.62

-10.2

-8.58
26 SDRPRRWPR

1.59

-10.06

-8.47
27 HDRPRRWPR

1.54

-9.76

-8.22
28 DDRDKRWPR

1.68

-9.77

-8.09
29 DDRDRRWRR

1.65

-8.88

-7.23
30 DDRDRRWPR

2.61

-8.72

-6.11

 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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