Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-14.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 0.513 ΔGbinding -1.392
TOTAL
 -0.879
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.146
Van der Waals -3.694 Backbone clash 0.087
Electrostatics 0.349 Helix dipole 0.000
Solvation Polar 3.995 Water bridges -0.071
Solvation Hyd -5.337 Disulfide 0.000
VdW clashes 0.218 Electrost. Kon 0.424
Entropy sc 0.725 Part.cov.bonds 0.000
Entropy mc

4.402

 ΔGstability

19.591
       

Predicted ligand sequences for model [YSC84_1OOT-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWPRIWRRR 0.0
2 KWFRIWRRR 0.01
3 KWPRIWKRR 0.06
4 KWFRIWKRR 0.07
5 KWYRIWRRR 0.08
6 KWMRIWRRR 0.1
7 KWPRIWWRR 0.13
8 KWPRVWRRR 0.13
9 KWYRIWKRR 0.14
10 KWFRVWRRR 0.15
11 KWFRIWWRR 0.15
12 KWPRIWIRR 0.15
13 KWMRIWKRR 0.16
14 KWPRIWLRR 0.16
15 KWFRIWIRR 0.16
16 KWFRIWLRR 0.17
17 KWPRVWKRR 0.19
18 KWFRVWKRR 0.21
19 KWYRIWWRR 0.22
20 KWYRVWRRR 0.22
21 KWKRIWRRR 0.23
22 KWYRIWIRR 0.23
23 KWMRVWRRR 0.23
24 KWMRIWWRR 0.23
25 KWYRIWLRR 0.24
26 KWMRIWIRR 0.25
27 KWMRIWLRR 0.26
28 KWPRVWWRR 0.27
29 KWFRVWWRR 0.28
30 KWPRVWIRR 0.28
31 KWYRVWKRR 0.28
32 KWKRIWKRR 0.29
33 KWPRVWLRR 0.29
34 KWMRVWKRR 0.29
35 KWFRVWIRR 0.3
36 KWFRVWLRR 0.31
37 KWYRVWWRR 0.35
38 KWMRVWWRR 0.36
39 KWKRIWWRR 0.36
40 KWKRVWRRR 0.36
41 KWYRVWIRR 0.37
42 KWMRVWIRR 0.38
43 KWKRIWIRR 0.38
44 KWPRKWRRR 0.38
45 KWYRVWLRR 0.38
46 KWKRIWLRR 0.39
47 KWFRKWRRR 0.39
48 KWMRVWLRR 0.39
49 KWKRVWKRR 0.42
50 KWPRKWKRR 0.43
51 KWPRLWRRR 0.44
52 KWFRKWKRR 0.45
53 KWFRLWRRR 0.46
54 KWYRKWRRR 0.46
55 KWPRMWRRR 0.47
56 KWMRKWRRR 0.47
57 KWFRMWRRR 0.48
58 KWPRLWKRR 0.5
59 KWKRVWWRR 0.5
60 KWKRVWIRR 0.51
61 KWPRKWWRR 0.51
62 KWKRVWLRR 0.52
63 KWYRKWKRR 0.52
64 KWFRLWKRR 0.52
65 KWFRKWWRR 0.52
66 KWYRLWRRR 0.53
67 KWPRMWKRR 0.53
68 KWMRKWKRR 0.53
69 KWPRKWIRR 0.53
70 KWMRLWRRR 0.54
71 KWFRKWIRR 0.54
72 KWPRKWLRR 0.54
73 KWFRMWKRR 0.54
74 KWYRMWRRR 0.55
75 KWFRKWLRR 0.55
76 KWMRMWRRR 0.56
77 KWPRLWWRR 0.58
78 KWPRLWIRR 0.59
79 KWFRLWWRR 0.59
80 KWYRKWWRR 0.59
81 KWYRLWKRR 0.59
82 KWMRLWKRR 0.6
83 KWPRLWLRR 0.6
84 KWPRMWWRR 0.6
85 KWKRKWRRR 0.6
86 KWFRLWLRR 0.61
87 KWYRKWIRR 0.61
88 KWFRLWIRR 0.61
89 KWFRMWWRR 0.61
90 KWMRKWWRR 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KWPRVWIRR

1.78

-11.72

-9.94
2 KWMRIWLRR

2.29

-12.13

-9.84
3 KWMRVWRRR

2.42

-12.22

-9.8
4 KWPRIWLRR

1.6

-11.24

-9.64
5 KWMRIWIRR

1.72

-11.07

-9.35
6 KWFRIWKRR

2.28

-11.59

-9.31
7 KWYRIWLRR

2.23

-11.51

-9.28
8 KWPRVWRRR

1.94

-11.07

-9.13
9 KWFRIWWRR

2.95

-11.96

-9.01
10 KWYRIWIRR

2.32

-11.26

-8.94
11 KWPRVWWRR

2.06

-10.97

-8.91
12 KWMRIWKRR

2.15

-11.0

-8.85
13 KWFRIWLRR

2.03

-10.74

-8.71
14 KWMRIWWRR

2.18

-10.43

-8.25
15 KWYRIWRRR

1.99

-10.14

-8.15
16 KWYRIWWRR

2.13

-10.06

-7.93
17 KWKRIWRRR

1.63

-9.26

-7.63
18 KWMRIWRRR

1.89

-9.49

-7.6
19 KWFRIWIRR

2.12

-9.57

-7.45
20 KWPRIWIRR

1.67

-8.57

-6.9
21 KWFRVWWRR

2.87

-9.71

-6.84
22 KWPRVWKRR

2.55

-9.13

-6.58
23 KWFRVWKRR

2.01

-8.58

-6.57
24 KWPRIWWRR

1.85

-7.98

-6.13
25 KWYRVWRRR

2.9

-8.99

-6.09
26 KWYRIWKRR

2.56

-8.49

-5.93
27 KWPRIWRRR

4.07

-9.46

-5.39
28 KWPRIWKRR

3.9

-9.08

-5.18
29 KWFRVWRRR

3.22

-7.96

-4.74
30 KWFRIWRRR

3.69

-7.94

-4.25

 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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