Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_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 0.873 ΔGbinding 7.109
TOTAL
 7.982
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.259
Van der Waals -5.401 Backbone clash 0.129
Electrostatics -0.164 Helix dipole 0.000
Solvation Polar 5.070 Water bridges -0.041
Solvation Hyd -8.028 Disulfide 0.000
VdW clashes 11.644 Electrost. Kon -0.202
Entropy sc 0.805 Part.cov.bonds 0.000
Entropy mc

2.441

 ΔGstability

21.502
       

Predicted ligand sequences for model [YSC84_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).
 
  YSC84_2A08-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWNYPPHDFF 0.0
2 KWNYPPRDFF 0.05
3 KWNYPPWDFF 0.08
4 KWNYPPHEFF 0.08
5 KWNYPPHPFF 0.1
6 KWWYPPHDFF 0.11
7 KWNYPPREFF 0.13
8 KWNYPPRPFF 0.15
9 KWWYPPRDFF 0.16
10 KWGYPPHDFF 0.16
11 KWNYPPWEFF 0.16
12 KWNYPPWPFF 0.18
13 KWNYPPHDHF 0.18
14 KWWYPPWDFF 0.19
15 KWWYPPHEFF 0.19
16 KWGYPPRDFF 0.21
17 KWWYPPHPFF 0.21
18 KWNYPPRDHF 0.22
19 KWGYPPWDFF 0.24
20 KWWYPPREFF 0.24
21 KWGYPPHEFF 0.25
22 KWNYPPHEHF 0.26
23 KWWYPPRPFF 0.26
24 KWNYPPWDHF 0.26
25 KWGYPPHPFF 0.27
26 KWNYPPHDFW 0.27
27 KWWYPPWEFF 0.27
28 KWNYPPHPHF 0.28
29 KWGYPPREFF 0.29
30 KWWYPPHDHF 0.29
31 KWWYPPWPFF 0.29
32 KWNYPPREHF 0.31
33 KWNYPPRDFW 0.31
34 KWGYPPRPFF 0.32
35 KWWYPPRDHF 0.33
36 KWGYPPWEFF 0.33
37 KWNYPPRPHF 0.33
38 KWNYPPWEHF 0.34
39 KWGYPPHDHF 0.34
40 KWNYPPWDFW 0.35
41 KWGYPPWPFF 0.35
42 KWNYPPHEFW 0.35
43 KWNYRPHDFF 0.36
44 KWNYPPWPHF 0.36
45 KWWYPPHEHF 0.37
46 KWNYPPHPFW 0.37
47 KWWYPPWDHF 0.37
48 KWNYGPHDFF 0.38
49 KWWYPPHDFW 0.38
50 KWGYPPRDHF 0.39
51 KWWYPPHPHF 0.39
52 KWNYPPREFW 0.4
53 KWNYRPRDFF 0.41
54 KWWYPPRDFW 0.42
55 KWWYPPREHF 0.42
56 KWGYPPWDHF 0.42
57 KWNYGPRDFF 0.42
58 KWNYPPRPFW 0.42
59 KWGYPPHDFW 0.43
60 KWNYPPWEFW 0.43
61 KWGYPPHEHF 0.43
62 KWWYPPRPHF 0.44
63 KWNYPPHDHW 0.44
64 KWNFPPHDFF 0.45
65 KWNYRPWDFF 0.45
66 KWGYPPHPHF 0.45
67 KWNYPPWPFW 0.45
68 KWNYRPHEFF 0.45
69 KWWYPPWEHF 0.45
70 KWWYPPWDFW 0.46
71 KWNYGPWDFF 0.46
72 KWNYGPHEFF 0.46
73 KWWYPPHEFW 0.46
74 KWWYPPWPHF 0.47
75 KWGYPPREHF 0.47
76 KWNYRPHPFF 0.47
77 KWWYRPHDFF 0.47
78 KWNYGPHPFF 0.48
79 KWWYPPHPFW 0.48
80 KWGYPPRDFW 0.48
81 KWNFPPRDFF 0.49
82 KWNYPPRDHW 0.49
83 KWWYGPHDFF 0.49
84 KWGYPPRPHF 0.49
85 KWNYRPREFF 0.49
86 KWGYPPWDFW 0.51
87 KWGYPPHEFW 0.51
88 KWGYPPWEHF 0.51
89 KWNYGPREFF 0.51
90 KWWYPPREFW 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWNYPPRDHF

2.24

-8.9

-6.66
2 KWNYPPWPFF

2.83

-8.91

-6.08
3 KWNYPPHEHF

2.55

-8.41

-5.86
4 KWWYPPRDFF

2.85

-8.68

-5.83
5 KWNYPPHEFF

2.55

-8.16

-5.61
6 KWNYPPHPHF

2.29

-7.9

-5.61
7 KWGYPPHEFF

2.54

-8.04

-5.5
8 KWWYPPHDHF

2.57

-8.02

-5.45
9 KWGYPPREFF

2.63

-7.93

-5.3
10 KWNYPPHPFF

2.62

-7.87

-5.25
11 KWNYPPRPFF

3.12

-8.33

-5.21
12 KWWYPPHPFF

2.98

-8.09

-5.11
13 KWNYPPHDHF

2.81

-7.72

-4.91
14 KWWYPPHEFF

2.06

-6.93

-4.87
15 KWNYPPWDHF

3.04

-7.75

-4.71
16 KWNYPPHDFW

2.9

-7.46

-4.56
17 KWNYPPREFF

2.68

-7.04

-4.36
18 KWGYPPHDFF

1.42

-5.62

-4.2
19 KWWYPPWDFF

2.36

-6.53

-4.17
20 KWNYPPRDFF

2.69

-6.61

-3.92
21 KWNYPPWEFF

2.92

-6.81

-3.89
22 KWWYPPWEFF

3.0

-6.82

-3.82
23 KWGYPPRDFF

1.58

-5.27

-3.69
24 KWWYPPRPFF

2.91

-6.56

-3.65
25 KWWYPPREFF

1.62

-5.25

-3.63
26 KWGYPPWDFF

2.86

-6.26

-3.4
27 KWWYPPHDFF

2.8

-6.01

-3.21
28 KWGYPPHPFF

2.69

-5.89

-3.2
29 KWNYPPWDFF

3.42

-6.51

-3.09
30 KWNYPPHDFF

2.62

-5.6

-2.98

 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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