Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-7.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 G 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 3.505 ΔGbinding -3.101
TOTAL
 0.404
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.256
Van der Waals -2.814 Backbone clash 0.009
Electrostatics 0.042 Helix dipole 0.000
Solvation Polar 2.647 Water bridges -0.004
Solvation Hyd -4.067 Disulfide 0.000
VdW clashes 0.198 Electrost. Kon 0.031
Entropy sc 0.565 Part.cov.bonds 0.000
Entropy mc

1.321

 ΔGstability

58.413
       

Predicted ligand sequences for model [LSB1_1CKB-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 KKPIHPFR 0.0
2 KKRIHPFR 0.01
3 KKKIHPFR 0.05
4 KKPYHPFR 0.08
5 KKRYHPFR 0.09
6 KKPIHPWR 0.1
7 KKRIHPWR 0.11
8 KKKYHPFR 0.12
9 KKKIHPWR 0.15
10 KLPIHPFR 0.15
11 KKPIRPFR 0.17
12 KLRIHPFR 0.17
13 KKPYHPWR 0.18
14 KKRIRPFR 0.18
15 KKRYHPWR 0.19
16 KLKIHPFR 0.2
17 KKKIRPFR 0.21
18 KKKYHPWR 0.22
19 IKPIHPFR 0.22
20 KLPYHPFR 0.23
21 IKRIHPFR 0.23
22 KKPYRPFR 0.24
23 KLRYHPFR 0.24
24 KLPIHPWR 0.25
25 KKRYRPFR 0.26
26 KKPIRPWR 0.27
27 KLRIHPWR 0.27
28 IKKIHPFR 0.27
29 KLKYHPFR 0.28
30 KKRIRPWR 0.28
31 KKKYRPFR 0.29
32 KKPMHPFR 0.3
33 KLKIHPWR 0.3
34 IKPYHPFR 0.3
35 IKRYHPFR 0.31
36 KKRMHPFR 0.31
37 KKKIRPWR 0.31
38 KLPIRPFR 0.32
39 IKPIHPWR 0.32
40 KPPIHPFR 0.33
41 KKPIHRFR 0.33
42 IKRIHPWR 0.33
43 KLRIRPFR 0.33
44 KLPYHPWR 0.33
45 KKPYRPWR 0.34
46 KKKMHPFR 0.34
47 KLRYHPWR 0.34
48 KPRIHPFR 0.34
49 KKRIHRFR 0.35
50 IKKYHPFR 0.35
51 KKRYRPWR 0.36
52 ILPIHPFR 0.37
53 KKPIHKFR 0.37
54 KLKIRPFR 0.37
55 IKKIHPWR 0.37
56 KKPIPPFR 0.38
57 KLKYHPWR 0.38
58 KPKIHPFR 0.38
59 KKKIHRFR 0.38
60 KKKYRPWR 0.39
61 IKPIRPFR 0.39
62 KKRIHKFR 0.39
63 ILRIHPFR 0.39
64 KKPMHPWR 0.4
65 KLPYRPFR 0.4
66 IKPYHPWR 0.4
67 KKRIPPFR 0.4
68 IKRIRPFR 0.4
69 KKPYHRFR 0.41
70 KPPYHPFR 0.41
71 IKRYHPWR 0.41
72 KKRMHPWR 0.41
73 KLRYRPFR 0.41
74 ILKIHPFR 0.42
75 KKRYHRFR 0.42
76 KPRYHPFR 0.42
77 KLPIRPWR 0.42
78 KKKIHKFR 0.42
79 KPPIHPWR 0.43
80 KKKIPPFR 0.43
81 KLRIRPWR 0.43
82 KKPIHRWR 0.43
83 IKKIRPFR 0.43
84 KLKYRPFR 0.44
85 IKKYHPWR 0.44
86 KKRIHRWR 0.44
87 KKKMHPWR 0.44
88 KPRIHPWR 0.44
89 KPKYHPFR 0.45
90 ILPYHPFR 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KLRIHPFR

2.53

-9.17

-6.64
2 KLPIHPFR

2.6

-9.24

-6.64
3 KKRIHPFR

2.54

-9.02

-6.48
4 KLKIHPFR

2.68

-9.04

-6.36
5 KKPIHPFR

2.74

-8.78

-6.04
6 KKKIRPFR

3.82

-9.82

-6.0
7 KLPYHPFR

2.46

-8.35

-5.89
8 KKRIRPFR

3.74

-9.61

-5.87
9 KKKIHPFR

2.96

-8.82

-5.86
10 KKRIHPWR

2.69

-8.46

-5.77
11 KKKYHPFR

2.61

-8.23

-5.62
12 KKPYRPFR

2.95

-8.57

-5.62
13 KLKYHPFR

2.81

-8.41

-5.6
14 IKPIHPFR

2.46

-7.91

-5.45
15 KLPIHPWR

2.73

-8.17

-5.44
16 KKPIHPWR

2.75

-8.17

-5.42
17 KKPYHPWR

1.99

-7.26

-5.27
18 KKPIRPFR

4.0

-9.26

-5.26
19 IKKIHPFR

2.8

-8.04

-5.24
20 KLRIHPWR

2.96

-8.19

-5.23
21 KKKIHPWR

2.96

-8.19

-5.23
22 KKPYHPFR

2.48

-7.67

-5.19
23 KKRYRPFR

3.31

-8.49

-5.18
24 KKRYHPFR

2.74

-7.87

-5.13
25 KKKYHPWR

1.95

-7.06

-5.11
26 IKRIHPFR

2.72

-7.76

-5.04
27 KKPIRPWR

3.42

-8.41

-4.99
28 KLRYHPFR

2.72

-7.63

-4.91
29 KKRYHPWR

2.2

-7.11

-4.91
30 KKRIRPWR

4.68

-8.49

-3.81

 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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