Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-26.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
poly-Ala 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 0.336 ΔGbinding -1.653
TOTAL
 -1.317
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.391
Van der Waals -3.768 Backbone clash 0.013
Electrostatics 0.191 Helix dipole 0.000
Solvation Polar 3.612 Water bridges -0.015
Solvation Hyd -5.159 Disulfide 0.000
VdW clashes 1.984 Electrost. Kon 0.176
Entropy sc 0.418 Part.cov.bonds 0.000
Entropy mc

1.792

 ΔGstability

23.528
       

Predicted ligand sequences for model [LSB1_1CKA-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 SRRPKRFPK 0.0
2 SRRPRRFPK 0.01
3 SRRPKRYPK 0.07
4 SRRPRRYPK 0.08
5 SRRPKRFRK 0.1
6 SRRPRRFRK 0.11
7 SRRPHRFPK 0.11
8 SDRPKRFPK 0.12
9 SDRPRRFPK 0.13
10 SRRPKRYRK 0.17
11 SRRPHRYPK 0.18
12 SRRPRRYRK 0.18
13 SDRPKRYPK 0.19
14 SDRPRRYPK 0.2
15 SRRPHRFRK 0.21
16 SDRPKRFRK 0.22
17 SDRPRRFRK 0.23
18 SDRPHRFPK 0.23
19 SERPKRFPK 0.25
20 SERPRRFPK 0.26
21 SRRPKRHPK 0.27
22 SRRPRRHPK 0.28
23 SRRPHRYRK 0.28
24 SRRFKRFPK 0.28
25 TRRPKRFPK 0.28
26 SRRFRRFPK 0.29
27 TRRPRRFPK 0.29
28 SDRPKRYRK 0.29
29 SDRPHRYPK 0.3
30 SDRPRRYRK 0.3
31 SERPKRYPK 0.32
32 KRRPKRFPK 0.32
33 SERPRRYPK 0.33
34 SDRPHRFRK 0.33
35 KRRPRRFPK 0.33
36 SRRPKRFHK 0.33
37 SRRPRRFHK 0.34
38 TRRPKRYPK 0.35
39 SRRFKRYPK 0.35
40 SERPKRFRK 0.35
41 SERPRRFRK 0.36
42 SERPHRFPK 0.36
43 TRRPRRYPK 0.36
44 SRRFRRYPK 0.36
45 SRRPKRHRK 0.37
46 SRRFKRFRK 0.37
47 SRRPHRHPK 0.38
48 TRRPKRFRK 0.38
49 SRRPRRHRK 0.38
50 SRRFRRFRK 0.39
51 TRRPRRFRK 0.39
52 KRRPKRYPK 0.39
53 SRRFHRFPK 0.39
54 SDRPKRHPK 0.39
55 TRRPHRFPK 0.39
56 KRRPRRYPK 0.4
57 SDRPHRYRK 0.4
58 SDRPRRHPK 0.4
59 TDRPKRFPK 0.4
60 SDRFKRFPK 0.4
61 SRRPKRYHK 0.4
62 SRRPRRYHK 0.41
63 SDRFRRFPK 0.41
64 TDRPRRFPK 0.41
65 KRRPKRFRK 0.42
66 SERPKRYRK 0.42
67 KRRPRRFRK 0.43
68 SERPHRYPK 0.43
69 SERPRRYRK 0.43
70 KRRPHRFPK 0.43
71 KDRPKRFPK 0.44
72 SRRPHRFHK 0.44
73 KDRPRRFPK 0.45
74 SDRPKRFHK 0.45
75 SRRFKRYRK 0.45
76 TRRPKRYRK 0.45
77 SDRPRRFHK 0.46
78 SRRFRRYRK 0.46
79 TRRPHRYPK 0.46
80 SERPHRFRK 0.46
81 SRRFHRYPK 0.46
82 TRRPRRYRK 0.46
83 TDRPKRYPK 0.47
84 SDRFKRYPK 0.47
85 SRRFHRFRK 0.48
86 SDRFRRYPK 0.48
87 SRRPHRHRK 0.48
88 TDRPRRYPK 0.48
89 SDRPKRHRK 0.49
90 TRRPHRFRK 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SDRPRRFPK

5.42

-9.97

-4.55
2 SDRPKRYRK

2.47

-6.94

-4.47
3 SDRPRRYRK

5.64

-9.99

-4.35
4 SRRPRRFPK

2.04

-5.26

-3.22
5 SDRPRRFRK

4.31

-7.5

-3.19
6 SRRFRRFPK

5.41

-8.47

-3.06
7 SRRPHRFRK

5.27

-8.3

-3.03
8 SDRPKRYPK

2.35

-5.27

-2.92
9 TRRPRRFPK

5.43

-8.3

-2.87
10 SDRPHRFPK

2.07

-4.86

-2.79
11 SRRPHRYPK

2.46

-5.18

-2.72
12 SRRPKRHPK

5.06

-7.76

-2.7
13 SDRPKRFPK

4.99

-7.59

-2.6
14 TRRPKRFPK

4.91

-7.49

-2.58
15 SRRPKRYRK

5.33

-7.79

-2.46
16 SRRPHRFPK

5.3

-7.72

-2.42
17 SRRPKRFPK

5.01

-7.38

-2.37
18 SRRPHRYRK

3.42

-5.79

-2.37
19 SRRPRRYRK

3.52

-5.8

-2.28
20 SRRPRRHPK

2.78

-5.0

-2.22
21 SRRPKRYPK

5.33

-7.41

-2.08
22 SERPKRFPK

5.49

-7.36

-1.87
23 SRRPKRFRK

5.74

-7.4

-1.66
24 SRRFKRFPK

6.15

-7.78

-1.63
25 SDRPKRFRK

3.7

-5.22

-1.52
26 SERPRRFPK

6.1

-7.41

-1.31
27 SDRPRRYPK

4.27

-5.29

-1.02
28 SDRPHRYPK

5.13

-5.51

-0.38
29 SRRPRRYPK

6.26

-6.06

0.2
30 SRRPRRFRK

5.46

-5.19

0.27

 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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