Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-1.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 4.710 ΔGbinding -4.351
TOTAL
 0.359
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.999
Van der Waals -3.946 Backbone clash 0.138
Electrostatics -0.142 Helix dipole 0.000
Solvation Polar 3.950 Water bridges -0.017
Solvation Hyd -6.016 Disulfide 0.000
VdW clashes 0.322 Electrost. Kon -0.189
Entropy sc 0.929 Part.cov.bonds 0.000
Entropy mc

1.309

 ΔGstability

25.849
       

Predicted ligand sequences for model [YSC84_1OOT-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 MHRRRRPRNY 0.0
2 FHRRRRPRNY 0.02
3 MHSRRRPRNY 0.07
4 MHQRRRPRNY 0.08
5 WHRRRRPRNY 0.08
6 FHSRRRPRNY 0.1
7 FHQRRRPRNY 0.1
8 MHRRRFPRNY 0.1
9 MHRRRRPRMY 0.12
10 FHRRRFPRNY 0.12
11 MHRRRRPKNY 0.13
12 MHRRREPRNY 0.13
13 FHRRRRPRMY 0.14
14 WHSRRRPRNY 0.15
15 WHQRRRPRNY 0.15
16 FHRRREPRNY 0.15
17 FHRRRRPKNY 0.15
18 MHRRRRWRNY 0.17
19 MHSRRFPRNY 0.17
20 MHQRRFPRNY 0.17
21 WHRRRFPRNY 0.17
22 FHRRRRWRNY 0.19
23 FHQRRFPRNY 0.19
24 FHSRRFPRNY 0.19
25 MHSRRRPKNY 0.2
26 WHRRRRPRMY 0.2
27 MHSRRRPRMY 0.2
28 MHQRRRPKNY 0.2
29 MHQRRRPRMY 0.2
30 WHRRREPRNY 0.21
31 MHQRREPRNY 0.21
32 MHSRREPRNY 0.21
33 WHRRRRPKNY 0.21
34 MHRRRRPRKY 0.21
35 FHSRRRPKNY 0.22
36 MHRRRFPRMY 0.22
37 MHRRRFPKNY 0.22
38 FHQRRRPRMY 0.22
39 FHSRRRPRMY 0.22
40 FHQRRRPKNY 0.22
41 FHSRREPRNY 0.23
42 FHRRRRPRKY 0.23
43 FHQRREPRNY 0.23
44 FHRRRFPKNY 0.24
45 FHRRRFPRMY 0.24
46 WHSRRFPRNY 0.25
47 WHRRRRWRNY 0.25
48 MHRRRRPKMY 0.25
49 MHSRRRWRNY 0.25
50 WHQRRFPRNY 0.25
51 MHQRRRWRNY 0.25
52 MHRRREPRMY 0.26
53 MHRRREPKNY 0.26
54 FHSRRRWRNY 0.27
55 MHRRRFWRNY 0.27
56 FHQRRRWRNY 0.27
57 FHRRRRPKMY 0.27
58 MHRRRRPPNY 0.28
59 FHRRREPRMY 0.28
60 WHQRRRPKNY 0.28
61 WHSRRRPRMY 0.28
62 FHRRREPKNY 0.28
63 WHQRRRPRMY 0.28
64 WHSRRRPKNY 0.28
65 WHSRREPRNY 0.29
66 MHSRRRPRKY 0.29
67 WHRRRRPRKY 0.29
68 WHQRREPRNY 0.29
69 FHRRRFWRNY 0.29
70 MHQRRRPRKY 0.29
71 MHSRRFPKNY 0.3
72 WHRRRFPKNY 0.3
73 MHQRRFPRMY 0.3
74 MHRRRRWKNY 0.3
75 MHRRRRWRMY 0.3
76 WHRRRFPRMY 0.3
77 MHSRRFPRMY 0.3
78 MHRMRRPRNY 0.3
79 MHQRRFPKNY 0.3
80 MHRRRFPRKY 0.31
81 FHSRRRPRKY 0.31
82 FHRRRRPPNY 0.31
83 FHQRRRPRKY 0.31
84 MHRRREWRNY 0.31
85 FHSRRFPRMY 0.32
86 FHRRRRWKNY 0.32
87 FHQRRFPKNY 0.32
88 FHSRRFPKNY 0.32
89 FHQRRFPRMY 0.32
90 FHRMRRPRNY 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MHSRRRPRMY

5.86

-13.52

-7.66
2 MHQRRRPRMY

5.58

-12.92

-7.34
3 MHSRRRPKNY

6.1

-13.04

-6.94
4 WHRRRFPRNY

5.58

-11.89

-6.31
5 MHRRRRPRNY

6.48

-12.44

-5.96
6 WHRRRRPRMY

5.85

-11.52

-5.67
7 MHQRRFPRNY

6.52

-12.17

-5.65
8 MHSRRFPRNY

7.36

-12.84

-5.48
9 WHSRRRPRNY

5.16

-10.46

-5.3
10 MHRRRFPRNY

7.31

-12.61

-5.3
11 WHRRRRPRNY

6.01

-11.14

-5.13
12 WHRRREPRNY

5.62

-10.72

-5.1
13 MHRRRRWRNY

6.67

-11.7

-5.03
14 MHQRRRPKNY

6.29

-11.2

-4.91
15 WHQRRRPRNY

5.42

-10.21

-4.79
16 FHRRREPRNY

7.56

-12.16

-4.6
17 FHRRRRPRNY

7.7

-12.25

-4.55
18 MHRRRRPKNY

7.36

-11.73

-4.37
19 MHSRRRPRNY

7.27

-11.36

-4.09
20 FHRRRFPRNY

8.3

-12.36

-4.06
21 FHRRRRPRMY

8.27

-12.3

-4.03
22 FHQRRFPRNY

8.17

-12.2

-4.03
23 MHRRRRPRMY

7.4

-11.37

-3.97
24 MHRRREPRNY

8.39

-12.25

-3.86
25 FHRRRRPKNY

7.94

-11.71

-3.77
26 FHSRRFPRNY

7.52

-11.29

-3.77
27 FHRRRRWRNY

8.13

-11.84

-3.71
28 FHQRRRPRNY

7.71

-11.36

-3.65
29 FHSRRRPRNY

7.68

-11.12

-3.44
30 MHQRRRPRNY

7.42

-10.66

-3.24

 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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