Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-5.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 3.495 ΔGbinding 5.152
TOTAL
 8.647
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 3.352
Van der Waals -5.271 Backbone clash 0.093
Electrostatics -0.166 Helix dipole 0.000
Solvation Polar 5.019 Water bridges -0.003
Solvation Hyd -7.909 Disulfide 0.000
VdW clashes 7.939 Electrost. Kon -0.248
Entropy sc 0.870 Part.cov.bonds 0.000
Entropy mc

2.845

 ΔGstability

22.230
       

Predicted ligand sequences for model [LSB3_2A08-5.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).
 
  LSB3_2A08-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RCKYPPKDRF 0.0
2 RCKYPPKPRF 0.05
3 RCKYPPKERF 0.06
4 RCHYPPKDRF 0.08
5 RCKYPPKDHF 0.11
6 RCKYPPPDRF 0.13
7 RCHYPPKPRF 0.13
8 RCHYPPKERF 0.14
9 RCNYPPKDRF 0.16
10 RCKYPPKPHF 0.16
11 RCKYPPKEHF 0.17
12 RCKYPPPPRF 0.18
13 RCHYPPKDHF 0.18
14 RCKYPPPERF 0.19
15 RCHYPPPDRF 0.21
16 RCKYPPKDRW 0.22
17 RCNYPPKPRF 0.22
18 RCNYPPKERF 0.23
19 RCHYPPKPHF 0.24
20 RCKYPPPDHF 0.24
21 RCHYPPKEHF 0.25
22 RCHYPPPPRF 0.26
23 RCHYPPPERF 0.27
24 RCKYPPKPRW 0.27
25 RCNYPPKDHF 0.27
26 RCKYPPKERW 0.28
27 RCHYPPKDRW 0.29
28 RCKYPPPPHF 0.29
29 RCNYPPPDRF 0.29
30 RCKYPPPEHF 0.3
31 RCHYPPPDHF 0.31
32 RCKYPPRDRF 0.31
33 RCKYPPKDHW 0.33
34 RCNYPPKPHF 0.33
35 RCNYPPKEHF 0.33
36 RCKYPPPDRW 0.35
37 RCNYPPPPRF 0.35
38 RCHYPPKPRW 0.35
39 RCNYPPPERF 0.36
40 RCKYPPRPRF 0.36
41 RCHYPPKERW 0.36
42 RCKYPPRERF 0.37
43 RCHYPPPPHF 0.37
44 RCNYPPKDRW 0.38
45 RCKYPPKPHW 0.38
46 RCHYPPPEHF 0.38
47 RCHYPPRDRF 0.38
48 RCKYPPKEHW 0.39
49 RCKYPPPPRW 0.4
50 RCNYPPPDHF 0.4
51 RCHYPPKDHW 0.4
52 RCKYGPKDRF 0.41
53 RCKYPPPERW 0.41
54 RCKYPPRDHF 0.41
55 RCKYPPKDFF 0.42
56 RCHYPPPDRW 0.42
57 RCNYPPKPRW 0.43
58 RCNYPPKERW 0.44
59 RCHYPPRPRF 0.44
60 RCHYPPRERF 0.45
61 RCNYPPPPHF 0.45
62 RRKYPPKDRF 0.45
63 RCKYPPPDHW 0.45
64 RCKYGPKPRF 0.46
65 RCHYPPKPHW 0.46
66 RCHYPPKEHW 0.46
67 RCNYPPPEHF 0.46
68 RCKYPPRPHF 0.47
69 RCKYGPKERF 0.47
70 RCNYPPRDRF 0.47
71 RCKYPPKPFF 0.47
72 RCHYGPKDRF 0.48
73 RCHYPPPPRW 0.48
74 RCKYPPREHF 0.48
75 RCKYPPKEFF 0.48
76 RCHYPPPERW 0.49
77 RCNYPPKDHW 0.49
78 RCHYPPRDHF 0.49
79 RCHYPPKDFF 0.5
80 RCKYPPPPHW 0.51
81 RCNYPPPDRW 0.51
82 RRKYPPKPRF 0.51
83 RRKYPPKERF 0.52
84 RCKYGPKDHF 0.52
85 RCNYPPRPRF 0.52
86 RCKYPPRDRW 0.52
87 RCKYPPPEHW 0.52
88 RCHYPPPDHW 0.53
89 RCNYPPRERF 0.53
90 RRHYPPKDRF 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RCHYPPKDRF

2.91

-10.77

-7.86
2 RCKYPPKEHF

2.77

-10.18

-7.41
3 RCKYPPKPHF

2.26

-9.53

-7.27
4 RCKYPPPERF

2.29

-9.52

-7.23
5 RCKYPPPDRF

2.73

-9.63

-6.9
6 RCKYPPPPRF

2.41

-9.24

-6.83
7 RCNYPPKERF

2.46

-9.22

-6.76
8 RCHYPPKEHF

2.78

-9.48

-6.7
9 RCHYPPKPRF

2.52

-9.19

-6.67
10 RCKYPPPPHF

2.55

-9.1

-6.55
11 RCKYPPKERW

2.74

-9.22

-6.48
12 RCKYPPKPRF

2.89

-9.23

-6.34
13 RCHYPPKDHF

2.33

-8.66

-6.33
14 RCKYPPKDRW

2.59

-8.91

-6.32
15 RCNYPPPDRF

2.6

-8.8

-6.2
16 RCKYPPKDHF

2.46

-8.55

-6.09
17 RCHYPPKPHF

2.56

-8.63

-6.07
18 RCNYPPKDHF

2.51

-8.53

-6.02
19 RCHYPPKERF

2.51

-8.53

-6.02
20 RCNYPPKDRF

2.52

-8.49

-5.97
21 RCKYPPKDRF

2.35

-8.3

-5.95
22 RCKYPPPEHF

2.4

-8.35

-5.95
23 RCNYPPKPRF

2.44

-8.24

-5.8
24 RCKYPPPDHF

2.41

-8.15

-5.74
25 RCHYPPPPRF

2.6

-7.79

-5.19
26 RCHYPPKDRW

2.93

-8.11

-5.18
27 RCKYPPKERF

2.75

-7.89

-5.14
28 RCHYPPPDRF

2.81

-7.91

-5.1
29 RCKYPPKPRW

2.43

-7.21

-4.78
30 RCHYPPPERF

2.82

-7.59

-4.77

 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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