Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-12.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 0.247 ΔGbinding -1.796
TOTAL
 -1.549
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.212
Van der Waals -1.469 Backbone clash -0.000
Electrostatics 0.102 Helix dipole 0.000
Solvation Polar 1.662 Water bridges -0.079
Solvation Hyd -2.143 Disulfide 0.000
VdW clashes 0.153 Electrost. Kon 0.107
Entropy sc 0.330 Part.cov.bonds 0.000
Entropy mc

0.603

 ΔGstability

11.791
       

Predicted ligand sequences for model [LSB3_1OOT-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRMRRRRK 0.0
2 RRMRRRRR 0.06
3 RRMRKRRK 0.11
4 RRMRHRRK 0.12
5 RRMRKRRR 0.17
6 RRMRHRRR 0.18
7 RRMRPRRK 0.18
8 RRMRPRRR 0.23
9 RRMKRRRK 0.3
10 RRMMRRRK 0.32
11 RRMKRRRR 0.36
12 RRMMRRRR 0.38
13 RKMRRRRK 0.4
14 RRMKHRRK 0.42
15 RRMKKRRK 0.42
16 RRMMHRRK 0.43
17 RRMMKRRK 0.43
18 RKMRRRRR 0.46
19 RRMRRRRH 0.46
20 RRMKPRRK 0.48
21 RRMKHRRR 0.48
22 RRMRRRRP 0.48
23 RRMKKRRR 0.48
24 RRMMHRRR 0.49
25 RRMHRRRK 0.49
26 RRMMPRRK 0.49
27 RRMMKRRR 0.49
28 RKMRKRRK 0.51
29 RKMRHRRK 0.52
30 RRMKPRRR 0.54
31 RRMMPRRR 0.55
32 RRMHRRRR 0.55
33 RRMRHRRH 0.57
34 RKMRKRRR 0.57
35 RRMRKRRH 0.57
36 RKMRPRRK 0.58
37 RKMRHRRR 0.58
38 RRMRHRRP 0.59
39 RRMRKRRP 0.59
40 RRMHKRRK 0.61
41 RRMHHRRK 0.61
42 RRMRPRRH 0.63
43 RKMRPRRR 0.64
44 RRMRPRRP 0.65
45 RRMHPRRK 0.67
46 RRMHKRRR 0.67
47 RRMHHRRR 0.67
48 RKMKRRRK 0.71
49 RKMMRRRK 0.72
50 RRMHPRRR 0.73
51 RKMKRRRR 0.76
52 RRMKRRRH 0.76
53 RRMMRRRH 0.77
54 RKMMRRRR 0.78
55 RRMKRRRP 0.78
56 RRMMRRRP 0.79
57 RKMKHRRK 0.82
58 RKMKKRRK 0.82
59 RKMMKRRK 0.83
60 RKMMHRRK 0.84
61 RKMRRRRH 0.86
62 RRMKKRRH 0.87
63 RKMRRRRP 0.88
64 RRMKHRRH 0.88
65 RKMKPRRK 0.88
66 RKMKHRRR 0.88
67 RKMKKRRR 0.88
68 RKMMPRRK 0.89
69 RKMMKRRR 0.89
70 RRMKKRRP 0.89
71 RRMMHRRH 0.89
72 RKMHRRRK 0.89
73 RRMMKRRH 0.89
74 RKMMHRRR 0.9
75 RRMKHRRP 0.9
76 RRMMHRRP 0.91
77 RRMMKRRP 0.91
78 RRMKPRRH 0.94
79 RKMKPRRR 0.94
80 RRMMPRRH 0.95
81 RKMMPRRR 0.95
82 RRMHRRRH 0.95
83 RKMHRRRR 0.95
84 RRMKPRRP 0.96
85 RRMMPRRP 0.97
86 RRMHRRRP 0.97
87 RKMRHRRH 0.97
88 RKMRKRRH 0.97
89 RKMRKRRP 0.99
90 RKMRHRRP 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRMMRRRR

1.8

-11.49

-9.69
2 RRMMKRRR

1.57

-11.14

-9.57
3 RRMMRRRK

1.67

-11.19

-9.52
4 RRMMHRRK

1.49

-10.5

-9.01
5 RRMRKRRK

1.54

-10.54

-9.0
6 RRMRHRRK

1.73

-10.66

-8.93
7 RRMRPRRK

1.58

-10.49

-8.91
8 RRMKPRRR

1.49

-10.39

-8.9
9 RRMMHRRR

1.51

-10.4

-8.89
10 RRMMPRRK

1.82

-10.69

-8.87
11 RRMKPRRK

1.59

-10.35

-8.76
12 RRMKKRRK

1.82

-10.57

-8.75
13 RRMRRRRP

1.85

-10.6

-8.75
14 RRMRRRRH

2.13

-10.8

-8.67
15 RRMKKRRR

1.77

-10.44

-8.67
16 RRMKHRRK

1.61

-10.2

-8.59
17 RRMMKRRK

1.97

-10.53

-8.56
18 RRMKHRRR

1.57

-10.09

-8.52
19 RRMKRRRR

1.79

-10.3

-8.51
20 RRMRKRRR

2.3

-10.8

-8.5
21 RKMRRRRR

2.09

-10.58

-8.49
22 RRMHRRRK

1.64

-10.11

-8.47
23 RRMRRRRR

2.2

-10.63

-8.43
24 RRMKRRRK

1.35

-9.54

-8.19
25 RRMRRRRK

2.21

-10.38

-8.17
26 RKMRRRRK

2.04

-9.95

-7.91
27 RKMRHRRK

1.35

-9.2

-7.85
28 RKMRKRRK

2.0

-9.8

-7.8
29 RRMRHRRR

2.03

-9.78

-7.75
30 RRMRPRRR

1.49

-9.04

-7.55

 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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