Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-18.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
G
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 5.689 ΔGbinding -0.378
TOTAL
 5.311
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.983
Van der Waals -3.210 Backbone clash 0.823
Electrostatics 0.204 Helix dipole 0.000
Solvation Polar 2.916 Water bridges -0.039
Solvation Hyd -4.824 Disulfide 0.000
VdW clashes 1.151 Electrost. Kon 0.240
Entropy sc 0.376 Part.cov.bonds 0.000
Entropy mc

1.825

 ΔGstability

20.530
       

Predicted ligand sequences for model [LSB3_1OOT-18.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).
 
  LSB3_1OOT-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHFIRPRRFR 0.0
2 FHFIRPRRFR 0.03
3 RHYIRPRRFR 0.09
4 FHYIRPRRFR 0.12
5 RHPIRPRRFR 0.13
6 FHPIRPRRFR 0.16
7 RHFIRPRRWR 0.28
8 FHFIRPRRWR 0.31
9 RHIIRPRRFR 0.34
10 WHFIRPRRFR 0.35
11 RHYIRPRRWR 0.37
12 FHIIRPRRFR 0.37
13 RHAIRPRRFR 0.37
14 FHYIRPRRWR 0.4
15 FHAIRPRRFR 0.4
16 RHPIRPRRWR 0.42
17 WHYIRPRRFR 0.44
18 RHFIRPRRYR 0.45
19 FHPIRPRRWR 0.45
20 RHFIRPRRMR 0.46
21 WHPIRPRRFR 0.48
22 FHFIRPRRYR 0.48
23 FHFIRPRRMR 0.49
24 RHYIRPRRYR 0.54
25 RHYIRPRRMR 0.55
26 RPFIRPRRFR 0.56
27 FHYIRPRRYR 0.57
28 RHFIRRRRFR 0.58
29 FHYIRPRRMR 0.58
30 RHPIRPRRYR 0.59
31 FPFIRPRRFR 0.59
32 RHPIRPRRMR 0.6
33 YHFIRPRRFR 0.6
34 FHFIRRRRFR 0.61
35 FHPIRPRRYR 0.62
36 FHPIRPRRMR 0.63
37 RHIIRPRRWR 0.63
38 WHFIRPRRWR 0.64
39 RPYIRPRRFR 0.65
40 RHAIRPRRWR 0.65
41 FHIIRPRRWR 0.66
42 RHYIRRRRFR 0.67
43 YHYIRPRRFR 0.68
44 FPYIRPRRFR 0.68
45 FHAIRPRRWR 0.68
46 WHIIRPRRFR 0.69
47 FHYIRRRRFR 0.7
48 RPPIRPRRFR 0.7
49 RHPIRRRRFR 0.71
50 WHYIRPRRWR 0.72
51 WHAIRPRRFR 0.72
52 FPPIRPRRFR 0.73
53 YHPIRPRRFR 0.73
54 FHPIRRRRFR 0.74
55 WHPIRPRRWR 0.77
56 RHIIRPRRYR 0.8
57 WHFIRPRRYR 0.8
58 WHFIRPRRMR 0.81
59 RHIIRPRRMR 0.81
60 FHIIRPRRYR 0.82
61 RHAIRPRRYR 0.82
62 RHAIRPRRMR 0.83
63 FHIIRPRRMR 0.84
64 RPFIRPRRWR 0.85
65 FHAIRPRRYR 0.85
66 RHFIRRRRWR 0.86
67 FHAIRPRRMR 0.86
68 FPFIRPRRWR 0.88
69 YHFIRPRRWR 0.88
70 WHYIRPRRYR 0.89
71 RPIIRPRRFR 0.9
72 FHFIRRRRWR 0.9
73 WHYIRPRRMR 0.9
74 WPFIRPRRFR 0.91
75 RHIIRRRRFR 0.92
76 RPAIRPRRFR 0.93
77 WHFIRRRRFR 0.93
78 RPYIRPRRWR 0.93
79 FPIIRPRRFR 0.93
80 YHIIRPRRFR 0.94
81 WHPIRPRRYR 0.94
82 FHIIRRRRFR 0.95
83 RHAIRRRRFR 0.95
84 RHYIRRRRWR 0.95
85 WHPIRPRRMR 0.95
86 YHAIRPRRFR 0.96
87 FPAIRPRRFR 0.96
88 FPYIRPRRWR 0.96
89 YHYIRPRRWR 0.97
90 FHYIRRRRWR 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHFIRRRRFR

4.36

-10.03

-5.67
2 WHPIRPRRFR

6.96

-10.04

-3.08
3 FHYIRPRRFR

10.08

-12.62

-2.54
4 FHFIRPRRYR

9.78

-12.26

-2.48
5 FHPIRPRRFR

6.74

-9.12

-2.38
6 FHIIRPRRFR

9.5

-11.81

-2.31
7 RHFIRPRRFR

9.84

-11.91

-2.07
8 FHPIRPRRWR

7.44

-9.51

-2.07
9 FHFIRPRRWR

9.75

-11.22

-1.47
10 RHYIRPRRFR

7.51

-8.85

-1.34
11 WHFIRPRRFR

6.7

-7.87

-1.17
12 RHAIRPRRFR

9.65

-10.74

-1.09
13 FHYIRPRRMR

10.23

-11.23

-1.0
14 FHAIRPRRFR

9.64

-10.61

-0.97
15 RHPIRPRRFR

9.95

-10.66

-0.71
16 RHFIRPRRYR

10.01

-10.66

-0.65
17 FHFIRPRRFR

9.91

-10.42

-0.51
18 RHYIRPRRWR

9.99

-9.94

0.05
19 RHPIRPRRWR

9.74

-9.62

0.12
20 FHYIRPRRWR

6.9

-6.77

0.13
21 WHYIRPRRFR

9.38

-9.22

0.16
22 RPFIRPRRFR

11.77

-11.56

0.21
23 RHIIRPRRFR

10.13

-9.8

0.33
24 FHFIRPRRMR

9.66

-8.99

0.67
25 RHYIRPRRYR

9.68

-8.94

0.74
26 RHPIRPRRYR

9.75

-8.53

1.22
27 RHFIRPRRMR

11.01

-9.47

1.54
28 RHFIRPRRWR

10.73

-9.03

1.7
29 RHYIRPRRMR

9.8

-8.09

1.71
30 FHYIRPRRYR

9.59

-7.75

1.84

 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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