Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-20.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
G
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 6.743 ΔGbinding -4.667
TOTAL
 2.076
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.205
Van der Waals -4.772 Backbone clash 0.115
Electrostatics 0.169 Helix dipole 0.000
Solvation Polar 4.637 Water bridges -0.015
Solvation Hyd -7.002 Disulfide 0.000
VdW clashes 0.643 Electrost. Kon 0.081
Entropy sc 1.457 Part.cov.bonds 0.000
Entropy mc

3.755

 ΔGstability

23.777
       

Predicted ligand sequences for model [LSB1_1CKA-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWKNGRFM 0.0
2 RRPKNGRFM 0.05
3 RRWINGRFM 0.12
4 RPWKNGRFM 0.13
5 RRFKNGRFM 0.14
6 RRWKYGRFM 0.17
7 RRPINGRFM 0.17
8 RRWKNGRWM 0.17
9 RPPKNGRFM 0.18
10 RDWKNGRFM 0.18
11 RRPKYGRFM 0.21
12 RRPKNGRWM 0.22
13 RDPKNGRFM 0.22
14 RRWVNGRFM 0.23
15 RRWKFGRFM 0.23
16 RPWINGRFM 0.25
17 RRFINGRFM 0.26
18 RPFKNGRFM 0.27
19 RRPVNGRFM 0.27
20 RRPKFGRFM 0.28
21 RRWIYGRFM 0.29
22 RRWINGRWM 0.29
23 RDWINGRFM 0.3
24 RPWKYGRFM 0.3
25 RPPINGRFM 0.3
26 RRFKNGRWM 0.31
27 RRFKYGRFM 0.31
28 RPWKNGRWM 0.31
29 RDFKNGRFM 0.32
30 RRPIYGRFM 0.33
31 RRWKYGRWM 0.34
32 RPPKYGRFM 0.34
33 RRPINGRWM 0.34
34 RDWKYGRFM 0.34
35 RDPINGRFM 0.34
36 RPPKNGRWM 0.35
37 RRWIFGRFM 0.35
38 RDWKNGRWM 0.35
39 RPWVNGRFM 0.36
40 RPWKFGRFM 0.37
41 RRFVNGRFM 0.37
42 RRFKFGRFM 0.38
43 RRWVYGRFM 0.39
44 RDPKYGRFM 0.39
45 RRPKYGRWM 0.39
46 RPFINGRFM 0.39
47 RPPVNGRFM 0.4
48 RRWVNGRWM 0.4
49 RDPKNGRWM 0.4
50 RDWVNGRFM 0.4
51 RRPIFGRFM 0.4
52 RRWKNGRYM 0.41
53 RDWKFGRFM 0.41
54 RRWKFGRWM 0.41
55 RPPKFGRFM 0.41
56 RPWIYGRFM 0.42
57 RRFIYGRFM 0.43
58 RPWINGRWM 0.43
59 RRFINGRWM 0.43
60 RDFINGRFM 0.44
61 RPFKYGRFM 0.44
62 RRPVYGRFM 0.44
63 RRPKNGRYM 0.45
64 RDPVNGRFM 0.45
65 RRPKFGRWM 0.45
66 RPFKNGRWM 0.45
67 RRPVNGRWM 0.45
68 RPPIYGRFM 0.46
69 RRWIYGRWM 0.46
70 RDPKFGRFM 0.46
71 RRWVFGRFM 0.46
72 RDWIYGRFM 0.46
73 RPWKYGRWM 0.47
74 RPPINGRWM 0.47
75 RDWINGRWM 0.47
76 RDFKYGRFM 0.48
77 RRFKYGRWM 0.48
78 RPWIFGRFM 0.49
79 RDFKNGRWM 0.49
80 RPFVNGRFM 0.5
81 RRFIFGRFM 0.5
82 RPFKFGRFM 0.51
83 RRPVFGRFM 0.51
84 RDPIYGRFM 0.51
85 RRPIYGRWM 0.51
86 RDWKYGRWM 0.52
87 RDPINGRWM 0.52
88 RPWVYGRFM 0.52
89 RPPKYGRWM 0.52
90 RDWIFGRFM 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPWKNGRFM

6.87

-10.97

-4.1
2 RPWKYGRFM

7.79

-11.82

-4.03
3 RRWVNGRFM

8.21

-11.7

-3.49
4 RPPINGRFM

7.99

-11.42

-3.43
5 RPWKNGRWM

8.35

-11.42

-3.07
6 RPPKNGRFM

7.18

-10.17

-2.99
7 RRWKNGRFM

8.0

-10.96

-2.96
8 RRWKNGRWM

8.09

-10.66

-2.57
9 RPWINGRFM

8.62

-11.18

-2.56
10 RRWINGRFM

8.52

-10.86

-2.34
11 RRPKNGRWM

8.31

-10.53

-2.22
12 RPFKNGRFM

7.76

-9.97

-2.21
13 RRPVNGRFM

8.16

-10.36

-2.2
14 RRWIYGRFM

8.46

-10.5

-2.04
15 RRPINGRFM

8.02

-10.01

-1.99
16 RRPKFGRFM

7.91

-9.74

-1.83
17 RDFKNGRFM

7.94

-9.71

-1.77
18 RRPKYGRFM

8.47

-10.19

-1.72
19 RRFKNGRWM

7.83

-9.51

-1.68
20 RRFINGRFM

8.48

-10.13

-1.65
21 RRPKNGRFM

8.06

-9.53

-1.47
22 RRPIYGRFM

8.57

-9.94

-1.37
23 RRFKNGRFM

8.08

-9.41

-1.33
24 RRWKFGRFM

8.06

-9.37

-1.31
25 RRFKYGRFM

8.44

-9.59

-1.15
26 RDWINGRFM

7.83

-8.87

-1.04
27 RDPKNGRFM

7.74

-8.51

-0.77
28 RRWKYGRFM

7.92

-8.68

-0.76
29 RDWKNGRFM

8.35

-7.79

0.56
30 RRWINGRWM

9.02

-7.46

1.56

 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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