Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-29.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 3.979 ΔGbinding -1.239
TOTAL
 2.740
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.452
Van der Waals -3.334 Backbone clash 0.000
Electrostatics 0.118 Helix dipole 0.000
Solvation Polar 3.412 Water bridges -0.001
Solvation Hyd -4.451 Disulfide 0.000
VdW clashes 0.606 Electrost. Kon 0.131
Entropy sc 0.484 Part.cov.bonds 0.000
Entropy mc

2.618

 ΔGstability

21.107
       

Predicted ligand sequences for model [YSC84_1OOT-29.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_1OOT-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DEPPWDKRRK 0.0
2 DEPPWDPRRK 0.02
3 DEPPWDRRRK 0.05
4 DEPPWDKRRH 0.06
5 DEPPWDPRRH 0.08
6 DEPPWDKRRR 0.09
7 DEPPWIKRRK 0.1
8 DEPMWDKRRK 0.11
9 DEPPWDRRRH 0.11
10 DEPPWDPRRR 0.11
11 HEPPWDKRRK 0.11
12 DEPPWIPRRK 0.12
13 DEPMWDPRRK 0.12
14 HEPPWDPRRK 0.13
15 DEPPWDRRRR 0.15
16 DEPPWIKRRH 0.16
17 DEPMWDKRRH 0.16
18 DEPMWDRRRK 0.16
19 DEPPWIRRRK 0.16
20 HEPPWDKRRH 0.17
21 HEPPWDRRRK 0.17
22 DEPPWIPRRH 0.18
23 DEPMWDPRRH 0.18
24 DEPPMDKRRK 0.18
25 HEPPWDPRRH 0.19
26 DEPPWIKRRR 0.2
27 DEPPWNKRRK 0.2
28 DEPPMDPRRK 0.2
29 DEPMWDKRRR 0.2
30 DEPFWDKRRK 0.21
31 DEPMWIKRRK 0.21
32 DEPPWIRRRH 0.21
33 HEPPWDKRRR 0.21
34 DEPPWIPRRR 0.22
35 HEPMWDKRRK 0.22
36 DEPPWNPRRK 0.22
37 DEPMWDRRRH 0.22
38 HEPPWIKRRK 0.22
39 DEPMWDPRRR 0.22
40 HEPPWDRRRH 0.22
41 DEPPMDRRRK 0.23
42 DEPFWDPRRK 0.23
43 HEPPWDPRRR 0.23
44 DEPMWIPRRK 0.23
45 FEPPWDKRRK 0.24
46 DEPPMDKRRH 0.24
47 HEPPWIPRRK 0.24
48 HEPMWDPRRK 0.24
49 DEEPWDKRRK 0.25
50 DEPPWNKRRH 0.25
51 DEPMWDRRRR 0.25
52 DEPPWNRRRK 0.25
53 DEPPWIRRRR 0.25
54 DEPMWIRRRK 0.26
55 DEPPMDPRRH 0.26
56 DEPFWDRRRK 0.26
57 FEPPWDPRRK 0.26
58 HEPPWDRRRR 0.26
59 DEPFWDKRRH 0.27
60 DEPMWIKRRH 0.27
61 HEPPWIRRRK 0.27
62 HEPMWDRRRK 0.27
63 DEPPWNPRRH 0.27
64 HEPPWIKRRH 0.27
65 DEEPWDPRRK 0.27
66 HEPMWDKRRH 0.28
67 DEDPWDKRRK 0.28
68 DEPPMDKRRR 0.28
69 HEPPMDKRRK 0.29
70 FEPPWDRRRK 0.29
71 DEPPWNKRRR 0.29
72 DEPPMDPRRR 0.29
73 DEPMMDKRRK 0.29
74 DEPPMDRRRH 0.29
75 DEPFWDPRRH 0.29
76 HEPPWIPRRH 0.29
77 DEPMWIPRRH 0.29
78 HEPMWDPRRH 0.29
79 DEPPMIKRRK 0.29
80 DEEPWDRRRK 0.3
81 DEEPWDKRRH 0.3
82 DEPFWDKRRR 0.3
83 DEPMWIKRRR 0.3
84 FEPPWDKRRH 0.3
85 DEDPWDPRRK 0.3
86 DEPMWNKRRK 0.3
87 DEPMMDPRRK 0.31
88 HEPMWDKRRR 0.31
89 DEPPWNPRRR 0.31
90 HEPPWNKRRK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HEPPWDKRRH

2.59

-14.38

-11.79
2 DEPPWDRRRK

2.52

-13.35

-10.83
3 DEPPWDPRRK

3.95

-14.73

-10.78
4 DEPMWDKRRR

2.68

-13.02

-10.34
5 HEPPWDPRRH

3.73

-14.0

-10.27
6 DEPPWNKRRK

2.66

-12.65

-9.99
7 DEPMWDKRRH

1.6

-11.07

-9.47
8 DEPPMDKRRK

4.04

-13.39

-9.35
9 DEPPWIKRRH

4.25

-13.57

-9.32
10 HEPPWDRRRK

4.51

-13.73

-9.22
11 DEPPMDPRRK

4.19

-13.27

-9.08
12 DEPPWDPRRR

2.92

-11.96

-9.04
13 DEPPWDRRRH

4.53

-13.39

-8.86
14 DEPPWIKRRK

4.83

-13.62

-8.79
15 DEPPWDKRRH

2.48

-11.25

-8.77
16 DEPPWIPRRH

5.38

-13.86

-8.48
17 DEPPWDKRRK

3.17

-11.55

-8.38
18 DEPMWDKRRK

4.76

-13.11

-8.35
19 DEPPWIRRRK

4.93

-13.24

-8.31
20 DEPFWDKRRK

3.15

-11.4

-8.25
21 DEPMWDPRRH

4.72

-12.67

-7.95
22 HEPPWDPRRK

5.15

-13.05

-7.9
23 DEPPWDRRRR

4.9

-12.77

-7.87
24 DEPPWDPRRH

4.78

-12.21

-7.43
25 DEPPWIKRRR

5.33

-12.67

-7.34
26 DEPMWDRRRK

5.47

-12.63

-7.16
27 HEPPWDKRRK

4.76

-11.84

-7.08
28 DEPPWIPRRK

5.27

-12.25

-6.98
29 DEPPWDKRRR

4.54

-11.13

-6.59
30 DEPMWDPRRK

4.75

-11.24

-6.49

 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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