Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-29.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
 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 4.720 ΔGbinding -0.117
TOTAL
 4.603
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.480
Van der Waals -3.644 Backbone clash 0.013
Electrostatics 0.008 Helix dipole 0.000
Solvation Polar 3.810 Water bridges 0.000
Solvation Hyd -4.965 Disulfide 0.000
VdW clashes 1.826 Electrost. Kon -0.034
Entropy sc 0.307 Part.cov.bonds 0.000
Entropy mc

2.094

 ΔGstability

30.083
       

Predicted ligand sequences for model [LSB1_1CKA-29.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_1CKA-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPPRFRKMF 0.0
2 HRPPRFRKMF 0.01
3 KRPWRFRKMF 0.01
4 HRPWRFRKMF 0.02
5 KRPPRFPKMF 0.03
6 KRPWRFPKMF 0.03
7 KRPPRPRKMF 0.04
8 HRPPRFPKMF 0.04
9 KRPWRPRKMF 0.05
10 HRPWRFPKMF 0.05
11 HRPWRPRKMF 0.06
12 HRPPRPRKMF 0.06
13 KRPPRPPKMF 0.07
14 KRPPRFRKMK 0.07
15 KRPWRPPKMF 0.07
16 RRPPRFRKMF 0.08
17 KRPPRIRKMF 0.08
18 KRPWRFRKMK 0.08
19 HRPPRPPKMF 0.08
20 HRPPRFRKMK 0.09
21 RRPWRFRKMF 0.09
22 HRPWRFRKMK 0.09
23 KRPWRIRKMF 0.09
24 KRPPRFKKMF 0.09
25 KRPWRFKKMF 0.09
26 HRPWRPPKMF 0.09
27 HRPWRIRKMF 0.1
28 HRPPRIRKMF 0.1
29 KRPPRFPKMK 0.1
30 KRPWRFPKMK 0.1
31 HRPPRFKKMF 0.1
32 HRPWRFKKMF 0.11
33 KRPPRPRKMK 0.11
34 RRPWRFPKMF 0.11
35 KRPFRFRKMF 0.11
36 HRPPRFPKMK 0.11
37 KRPPRIPKMF 0.11
38 KRPWRIPKMF 0.11
39 RRPPRFPKMF 0.11
40 KRPWRPRKMK 0.12
41 RRPPRPRKMF 0.12
42 HRPWRFPKMK 0.12
43 HRPFRFRKMF 0.12
44 HRPPRIPKMF 0.12
45 KRPPRPKKMF 0.13
46 RRPWRPRKMF 0.13
47 HRPWRPRKMK 0.13
48 HRPWRIPKMF 0.13
49 KRPWRPKKMF 0.13
50 HRPPRPRKMK 0.13
51 HRPPRPKKMF 0.14
52 KRPPRPPKMK 0.14
53 KRPPRFRKMH 0.14
54 KRPWRPPKMK 0.14
55 KRPWRFRKMH 0.14
56 KRPFRFPKMF 0.14
57 HRPPRFRKMH 0.15
58 HRPWRFRKMH 0.15
59 RRPPRFRKMK 0.15
60 RRPWRPPKMF 0.15
61 KRPPRIRKMK 0.15
62 KRPFRPRKMF 0.15
63 HRPWRPKKMF 0.15
64 RRPPRPPKMF 0.15
65 HRPFRFPKMF 0.15
66 HRPPRPPKMK 0.15
67 KRPPRFPKMH 0.16
68 RRPWRFRKMK 0.16
69 KRPWRIRKMK 0.16
70 KRPPRFKKMK 0.16
71 RRPPRIRKMF 0.16
72 KRPWRFKKMK 0.16
73 HRPWRPPKMK 0.16
74 HRPPRIRKMK 0.17
75 HRPWRIRKMK 0.17
76 RRPWRFKKMF 0.17
77 KRPPRIKKMF 0.17
78 KRPWRIKKMF 0.17
79 KRPWRFPKMH 0.17
80 HRPFRPRKMF 0.17
81 HRPPRFKKMK 0.17
82 RRPPRFKKMF 0.17
83 RRPWRIRKMF 0.17
84 HRPWRFKKMK 0.18
85 KRPPRPRKMH 0.18
86 RRPWRFPKMK 0.18
87 KRPWRPRKMH 0.18
88 KRPFRFRKMK 0.18
89 HRPPRIKKMF 0.18
90 HRPPRFPKMH 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRPWRFPKMF

4.34

-10.55

-6.21
2 KRPPRPPKMF

5.97

-11.98

-6.01
3 KRPPRFPKMK

4.69

-10.59

-5.9
4 KRPPRFRKMK

4.21

-10.05

-5.84
5 KRPWRFPKMK

5.72

-11.21

-5.49
6 HRPWRPRKMF

5.98

-11.33

-5.35
7 HRPPRFRKMF

5.7

-10.82

-5.12
8 KRPWRPRKMF

5.96

-11.05

-5.09
9 KRPPRPRKMF

6.37

-11.46

-5.09
10 RRPWRFRKMF

5.76

-10.83

-5.07
11 KRPPRFRKMF

5.67

-10.57

-4.9
12 HRPPRPPKMF

6.65

-11.54

-4.89
13 KRPWRPPKMF

5.81

-10.6

-4.79
14 RRPPRFRKMF

6.38

-11.17

-4.79
15 KRPWRFKKMF

6.13

-10.83

-4.7
16 KRPPRFKKMF

5.93

-10.55

-4.62
17 KRPWRFPKMF

6.08

-10.58

-4.5
18 KRPWRFRKMK

5.65

-10.14

-4.49
19 HRPPRIRKMF

5.88

-10.37

-4.49
20 KRPPRFPKMF

6.13

-10.31

-4.18
21 KRPWRIRKMF

6.3

-10.44

-4.14
22 HRPWRFRKMF

5.57

-9.7

-4.13
23 HRPPRPRKMF

6.23

-10.3

-4.07
24 HRPPRFPKMF

6.59

-10.66

-4.07
25 HRPWRPPKMF

6.03

-9.81

-3.78
26 KRPPRIRKMF

6.6

-10.35

-3.75
27 HRPPRFRKMK

5.78

-9.44

-3.66
28 HRPWRFRKMK

5.65

-9.29

-3.64
29 KRPWRFRKMF

6.17

-9.8

-3.63
30 HRPWRIRKMF

6.39

-9.02

-2.63

 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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