Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-17.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
G
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 14.609 ΔGbinding 2.150
TOTAL
 16.759
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.115
Van der Waals -3.992 Backbone clash 0.017
Electrostatics -0.088 Helix dipole 0.000
Solvation Polar 4.610 Water bridges 0.000
Solvation Hyd -5.684 Disulfide 0.000
VdW clashes 5.434 Electrost. Kon -0.120
Entropy sc 0.697 Part.cov.bonds 0.000
Entropy mc

4.229

 ΔGstability

119.986
       

Predicted ligand sequences for model [SDC25_1JO8-17.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).
 
  SDC25_1JO8-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRIRPGWAI 0.0
2 FRVRPGWAI 0.01
3 FRPRPGWAI 0.01
4 FRERPGWAI 0.03
5 FRIRDGWAI 0.21
6 FRPRDGWAI 0.22
7 FRVRDGWAI 0.22
8 FRERDGWAI 0.24
9 FRIRMGWAI 0.24
10 FRVRMGWAI 0.25
11 FRPRMGWAI 0.26
12 FRERMGWAI 0.27
13 FRVRPGFAI 0.28
14 FRVRRGWAI 0.28
15 FRIRRGWAI 0.28
16 FRIRPGFAI 0.28
17 FRPRPGFAI 0.29
18 FRPRRGWAI 0.29
19 FRERPGFAI 0.3
20 FRERRGWAI 0.3
21 YRIRPGWAI 0.33
22 YRVRPGWAI 0.33
23 YRPRPGWAI 0.34
24 YRERPGWAI 0.35
25 FRVKPGWAI 0.47
26 FRIKPGWAI 0.47
27 FRPKPGWAI 0.48
28 FRIRDGFAI 0.49
29 FRVRDGFAI 0.49
30 FREKPGWAI 0.49
31 FRPRDGFAI 0.5
32 FRERDGFAI 0.51
33 FRIRMGFAI 0.52
34 FRVRMGFAI 0.53
35 FRPRMGFAI 0.53
36 YRVRDGWAI 0.54
37 YRIRDGWAI 0.54
38 YRPRDGWAI 0.55
39 FRIRRGFAI 0.55
40 FRERMGFAI 0.55
41 FRVRRGFAI 0.56
42 YRERDGWAI 0.56
43 FRPRRGFAI 0.56
44 YRIRMGWAI 0.57
45 YRVRMGWAI 0.57
46 YRPRMGWAI 0.58
47 FRERRGFAI 0.58
48 YRERMGWAI 0.59
49 YRIRRGWAI 0.6
50 YRIRPGFAI 0.6
51 YRPRRGWAI 0.61
52 YRVRRGWAI 0.61
53 YRPRPGFAI 0.61
54 YRVRPGFAI 0.61
55 YRERPGFAI 0.63
56 YRERRGWAI 0.63
57 FRVKDGWAI 0.68
58 FRIKDGWAI 0.68
59 FRPKDGWAI 0.69
60 FREKDGWAI 0.7
61 FRIKMGWAI 0.71
62 FRPKMGWAI 0.72
63 FRVKMGWAI 0.72
64 FRIKRGWAI 0.74
65 FREKMGWAI 0.74
66 FRIKPGFAI 0.74
67 FRPKRGWAI 0.75
68 FRPKPGFAI 0.75
69 FRVKRGWAI 0.75
70 FRVKPGFAI 0.75
71 FREKRGWAI 0.77
72 FREKPGFAI 0.77
73 YRIKPGWAI 0.79
74 YRVKPGWAI 0.8
75 YRPKPGWAI 0.8
76 YRIRDGFAI 0.81
77 YRPRDGFAI 0.82
78 YREKPGWAI 0.82
79 YRVRDGFAI 0.82
80 YRERDGFAI 0.84
81 YRVRMGFAI 0.85
82 YRIRMGFAI 0.85
83 YRPRMGFAI 0.86
84 YRERMGFAI 0.87
85 YRVRRGFAI 0.88
86 YRIRRGFAI 0.88
87 YRPRRGFAI 0.89
88 YRERRGFAI 0.9
89 FRIKDGFAI 0.95
90 FRVKDGFAI 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FREKPGWAI

5.36

-3.3

2.06
2 FRERMGWAI

5.93

-3.27

2.66
3 FRVRPGFAI

6.76

-4.04

2.72
4 FRVRRGWAI

6.07

-3.27

2.8
5 FRPKPGWAI

5.47

-2.64

2.83
6 FRIRMGWAI

5.81

-2.8

3.01
7 FRIRPGFAI

5.49

-2.46

3.03
8 FRERPGFAI

5.08

-2.02

3.06
9 FRIRPGWAI

5.32

-2.19

3.13
10 FRIKPGWAI

5.71

-2.55

3.16
11 YRERPGWAI

5.17

-1.79

3.38
12 FRPRPGWAI

5.74

-2.29

3.45
13 FRVRMGWAI

5.44

-1.96

3.48
14 FRIRDGWAI

5.28

-1.67

3.61
15 FRPRDGWAI

6.25

-2.61

3.64
16 YRIRPGWAI

5.81

-2.02

3.79
17 FRPRPGFAI

6.07

-2.22

3.85
18 FRERDGWAI

6.52

-2.64

3.88
19 YRVRPGWAI

5.34

-1.44

3.9
20 FRIRDGFAI

5.41

-1.43

3.98
21 FRIRRGWAI

5.86

-1.78

4.08
22 YRPRPGWAI

5.23

-1.03

4.2
23 FRVKPGWAI

6.13

-1.86

4.27
24 FRERRGWAI

5.92

-1.59

4.33
25 FRPRRGWAI

6.66

-2.3

4.36
26 FRVRDGWAI

5.41

-0.93

4.48
27 FRVRPGWAI

8.07

-3.54

4.53
28 FRERPGWAI

6.1

-1.34

4.76
29 FRPRMGWAI

6.1

-1.19

4.91
30 FRVRDGFAI

5.9

-0.43

5.47

 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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