Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.267 ΔGbinding -2.960
TOTAL
 0.307
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.820
Van der Waals -3.546 Backbone clash 0.011
Electrostatics 0.005 Helix dipole 0.000
Solvation Polar 3.396 Water bridges -0.067
Solvation Hyd -4.972 Disulfide 0.000
VdW clashes 0.037 Electrost. Kon -0.050
Entropy sc 0.584 Part.cov.bonds 0.000
Entropy mc

2.108

 ΔGstability

57.626
       

Predicted ligand sequences for model [LSB1_1CKB-9.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).
 
  LSB1_1CKB-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIRPFW 0.0
2 RRPIRPFW 0.13
3 YPPIRPFW 0.16
4 RPPIRRFW 0.21
5 YRPIRPFW 0.28
6 RPPIRMFW 0.31
7 RIPIRPFW 0.33
8 RPPIRPMW 0.33
9 RRPIRRFW 0.34
10 RPPIHPFW 0.36
11 YPPIRRFW 0.37
12 RPPIPPFW 0.4
13 RPPIRPYW 0.42
14 RRPIRMFW 0.44
15 RRPIRPMW 0.46
16 YPPIRMFW 0.47
17 YIPIRPFW 0.48
18 YPPIRPMW 0.49
19 YRPIRRFW 0.49
20 RPPKRPFW 0.49
21 RRPIHPFW 0.49
22 YPPIHPFW 0.52
23 RRPIPPFW 0.53
24 RIPIRRFW 0.54
25 RPPIRRMW 0.54
26 RRPIRPYW 0.55
27 YPPIPPFW 0.56
28 RPPIHRFW 0.57
29 YPPIRPYW 0.58
30 YRPIRMFW 0.6
31 RPPIPRFW 0.61
32 RRPKRPFW 0.62
33 YRPIRPMW 0.62
34 RPPIRRYW 0.63
35 RIPIRMFW 0.64
36 YPPKRPFW 0.65
37 RPPIRMMW 0.65
38 YRPIHPFW 0.65
39 RIPIRPMW 0.66
40 RRPIRRMW 0.67
41 RPPIHMFW 0.68
42 RIPIHPFW 0.69
43 YIPIRRFW 0.69
44 YRPIPPFW 0.69
45 YPPIRRMW 0.7
46 RPPIHPMW 0.7
47 RPPKRRFW 0.7
48 YRPIRPYW 0.7
49 RRPIHRFW 0.7
50 RPPIPMFW 0.72
51 YPPIHRFW 0.73
52 RPPIRMYW 0.73
53 RIPIPPFW 0.73
54 RRPIPRFW 0.74
55 RPPIPPMW 0.74
56 RIPIRPYW 0.75
57 RRPIRRYW 0.76
58 RRPIRMMW 0.77
59 YPPIPRFW 0.77
60 YRPKRPFW 0.78
61 RPPIHPYW 0.78
62 YPPIRRYW 0.79
63 YIPIRMFW 0.8
64 YPPIRMMW 0.8
65 RPPKRMFW 0.81
66 RRPIHMFW 0.81
67 RIPKRPFW 0.82
68 RPPKRPMW 0.82
69 RRPIHPMW 0.82
70 RPPIPPYW 0.82
71 YIPIRPMW 0.82
72 RRPKRRFW 0.83
73 YRPIRRMW 0.83
74 RRPIPMFW 0.84
75 YPPIHMFW 0.84
76 YIPIHPFW 0.85
77 YPPIHPMW 0.85
78 RPPKHPFW 0.86
79 YRPIHRFW 0.86
80 YPPKRRFW 0.86
81 RRPIPPMW 0.86
82 RRPIRMYW 0.86
83 RIPIRRMW 0.87
84 YPPIPMFW 0.88
85 YPPIRMYW 0.89
86 YIPIPPFW 0.89
87 YPPIPPMW 0.89
88 RIPIHRFW 0.9
89 YRPIPRFW 0.9
90 YIPIRPYW 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPPIHPFW

3.64

-15.34

-11.7
2 RPPIRRMW

4.36

-14.79

-10.43
3 RPPIPPFW

4.67

-14.72

-10.05
4 YPPIPPFW

3.7

-13.56

-9.86
5 RPPIHRFW

3.75

-13.6

-9.85
6 YPPIRPYW

3.76

-13.59

-9.83
7 RPPKRPFW

3.73

-13.53

-9.8
8 RRPIPPFW

4.54

-14.31

-9.77
9 YPPIHPFW

3.27

-12.72

-9.45
10 YPPIRMFW

3.41

-12.35

-8.94
11 YPPIRPFW

4.24

-13.03

-8.79
12 YPPIRRFW

3.36

-12.03

-8.67
13 RIPIRRFW

6.18

-14.59

-8.41
14 RPPIRPMW

4.84

-13.1

-8.26
15 RRPIHPFW

3.68

-11.5

-7.82
16 RIPIRPFW

6.04

-13.7

-7.66
17 RPPIRMFW

4.49

-12.01

-7.52
18 YRPIRPFW

3.56

-10.91

-7.35
19 RPPIRRFW

3.88

-11.14

-7.26
20 RPPIRPYW

3.76

-10.63

-6.87
21 RRPIRMFW

4.11

-10.95

-6.84
22 YRPIRMFW

4.1

-10.47

-6.37
23 RRPIRPMW

5.23

-11.32

-6.09
24 RRPIRPYW

4.38

-10.4

-6.02
25 YRPIRRFW

5.01

-10.83

-5.82
26 RPPIRPFW

4.75

-10.47

-5.72
27 RRPIRRFW

5.92

-11.5

-5.58
28 YPPIRPMW

3.94

-9.29

-5.35
29 YIPIRPFW

5.73

-10.93

-5.2
30 RRPIRPFW

4.18

-8.41

-4.23

 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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