Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 3.595 ΔGbinding 0.133
TOTAL
 3.728
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.428
Van der Waals -1.930 Backbone clash 0.002
Electrostatics 0.247 Helix dipole 0.000
Solvation Polar 1.903 Water bridges -0.009
Solvation Hyd -2.858 Disulfide 0.000
VdW clashes 0.113 Electrost. Kon 0.278
Entropy sc 0.088 Part.cov.bonds 0.000
Entropy mc

1.872

 ΔGstability

112.838
       

Predicted ligand sequences for model [FUS1_1SHF-11.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).
 
  FUS1_1SHF-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRIRY 0.0
2 RRPRPRY 0.02
3 RRWRIRY 0.1
4 RRWRPRY 0.12
5 RRPTIRY 0.16
6 RRPRRRY 0.16
7 RRPRIPY 0.16
8 RRPTPRY 0.18
9 RRPRPPY 0.18
10 RRPRIKY 0.2
11 RRPRPKY 0.22
12 RRFRIRY 0.22
13 RRFRPRY 0.24
14 RRWTIRY 0.26
15 RRWRRRY 0.26
16 RRWRIPY 0.26
17 RRWRPPY 0.28
18 RRWTPRY 0.29
19 RRWRIKY 0.3
20 RRPRRPY 0.32
21 RRPTRRY 0.32
22 RRPTIPY 0.32
23 RRWRPKY 0.32
24 RRPTPPY 0.34
25 RRPTIKY 0.36
26 RRPRRKY 0.36
27 RRFRRRY 0.38
28 RRPTPKY 0.38
29 RRFRIPY 0.38
30 RRFTIRY 0.38
31 RRPFIRY 0.39
32 RRFTPRY 0.4
33 RRFRPPY 0.4
34 RRFRIKY 0.41
35 RRPFPRY 0.42
36 RRWRRPY 0.42
37 RRWTIPY 0.42
38 RRWTRRY 0.42
39 RRFRPKY 0.44
40 RRWTPPY 0.44
41 RRWRRKY 0.46
42 RRWTIKY 0.46
43 RRPRIRW 0.46
44 RRPTRPY 0.48
45 RRWTPKY 0.48
46 RRPRPRW 0.49
47 RRWFIRY 0.49
48 RRWFPRY 0.52
49 RRPTRKY 0.52
50 RRFTRRY 0.54
51 RRFTIPY 0.54
52 RRFRRPY 0.54
53 RRPFRRY 0.55
54 RRPFIPY 0.55
55 RRFTPPY 0.56
56 RRFRRKY 0.57
57 RRPFPPY 0.57
58 RRWRIRW 0.57
59 RRFTIKY 0.58
60 RRWTRPY 0.58
61 RRWRPRW 0.59
62 RRPFIKY 0.59
63 RRFTPKY 0.6
64 RRFFIRY 0.61
65 RRPFPKY 0.61
66 RRPRRRW 0.62
67 RRWTRKY 0.62
68 RRPRIPW 0.62
69 RRPTIRW 0.63
70 RRFFPRY 0.63
71 RRPRPPW 0.64
72 RRWFIPY 0.65
73 RRPTPRW 0.65
74 RRWFRRY 0.66
75 RRPRIKW 0.66
76 RRWFPPY 0.67
77 RRPRPKW 0.68
78 RRFRIRW 0.68
79 RRWFIKY 0.69
80 RRFRPRW 0.7
81 RRFTRPY 0.7
82 RRPFRPY 0.71
83 RRWFPKY 0.71
84 RRWRIPW 0.72
85 RRWTIRW 0.73
86 RRWRRRW 0.73
87 RRFTRKY 0.74
88 RRPFRKY 0.75
89 RRWTPRW 0.75
90 RRWRPPW 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRPRY

4.75

-9.2

-4.45
2 RRWRPRY

6.28

-10.47

-4.19
3 RRWRRRY

6.52

-10.56

-4.04
4 RRPRRKY

6.87

-10.91

-4.04
5 RRWRPPY

6.3

-9.72

-3.42
6 RRFRPRY

6.76

-10.04

-3.28
7 RRWRPKY

5.75

-8.75

-3.0
8 RRFRIRY

6.73

-9.71

-2.98
9 RRWRIPY

7.48

-10.29

-2.81
10 RRFRIPY

5.2

-7.9

-2.7
11 RRPRIKY

7.22

-9.08

-1.86
12 RRWTPRY

3.22

-4.88

-1.66
13 RRPRIPY

7.41

-8.95

-1.54
14 RRPRRRY

5.64

-7.06

-1.42
15 RRPRRPY

5.0

-6.36

-1.36
16 RRWRIRY

4.53

-5.8

-1.27
17 RRPTRRY

4.12

-5.07

-0.95
18 RRPTPRY

4.07

-5.01

-0.94
19 RRPRPKY

6.17

-6.97

-0.8
20 RRWTIRY

6.79

-7.53

-0.74
21 RRPRIRY

6.9

-7.61

-0.71
22 RRPRPPY

5.75

-6.28

-0.53
23 RRFRRRY

5.01

-5.34

-0.33
24 RRPTIKY

3.29

-3.44

-0.15
25 RRPTIRY

4.41

-4.51

-0.1
26 RRPTPPY

5.75

-5.8

-0.05
27 RRFTIRY

5.98

-5.96

0.02
28 RRPTIPY

6.35

-5.64

0.71
29 RRPTPKY

6.63

-5.84

0.79
30 RRWRIKY

6.78

-5.93

0.85

 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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