Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-8.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    

(Help)

Intraclash 2.018 ΔGbinding -1.622
TOTAL
 0.396
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.802
Van der Waals -3.970 Backbone clash 0.021
Electrostatics 0.082 Helix dipole 0.000
Solvation Polar 4.313 Water bridges -0.230
Solvation Hyd -5.178 Disulfide 0.000
VdW clashes 1.225 Electrost. Kon 0.070
Entropy sc 0.916 Part.cov.bonds 0.000
Entropy mc

2.898

 ΔGstability

56.844
       

Predicted ligand sequences for model [LSB1_1CKB-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERPPLQPF 0.0
2 RRPPLQPF 0.0
3 ERPPLQRF 0.09
4 RRPPLQRF 0.09
5 HRPPLQPF 0.1
6 ERPFLQPF 0.11
7 RRPFLQPF 0.11
8 ERPWLQPF 0.12
9 RRPWLQPF 0.12
10 KRPPLQPF 0.16
11 ERPPLQEF 0.18
12 RRPPLQEF 0.18
13 HRPPLQRF 0.18
14 RRPELQPF 0.19
15 RRPFLQRF 0.2
16 RRPPLPPF 0.2
17 ERPFLQRF 0.2
18 ERPELQPF 0.2
19 ERPPLPPF 0.21
20 RRPWLQRF 0.21
21 ERPWLQRF 0.21
22 HRPFLQPF 0.21
23 HRPWLQPF 0.22
24 KRPPLQRF 0.25
25 HRPPLQEF 0.27
26 KRPFLQPF 0.27
27 KRPWLQPF 0.28
28 ERPPLQGF 0.28
29 RRPELQRF 0.28
30 RRPPLQGF 0.28
31 ERPPLPRF 0.29
32 HRPELQPF 0.29
33 ERPFLQEF 0.29
34 RRPFLQEF 0.29
35 HRPFLQRF 0.29
36 RRPPLPRF 0.29
37 ERPELQRF 0.29
38 RRPWLQEF 0.3
39 HRPWLQRF 0.3
40 ERPWLQEF 0.3
41 HRPPLPPF 0.3
42 RRPFLPPF 0.31
43 ERPPLRPF 0.32
44 ERPFLPPF 0.32
45 RRPWLPPF 0.32
46 RRPPLRPF 0.32
47 ERPWLPPF 0.33
48 KRPPLQEF 0.34
49 RRPPLFPF 0.35
50 KRPFLQRF 0.35
51 KRPELQPF 0.35
52 ERPPLFPF 0.36
53 KRPPLPPF 0.36
54 KRPWLQRF 0.37
55 RRPELQEF 0.37
56 ERPELQEF 0.38
57 HRPFLQEF 0.38
58 ERPPLPEF 0.38
59 HRPPLQGF 0.38
60 RRPPLPEF 0.38
61 HRPELQRF 0.38
62 ERPFLQGF 0.39
63 HRPPLPRF 0.39
64 RRPFLQGF 0.39
65 RRPFLPRF 0.4
66 RRPELPPF 0.4
67 ERPELPPF 0.4
68 RRPPLRRF 0.4
69 HRPWLQEF 0.4
70 ERPWLQGF 0.4
71 ERPFLPRF 0.4
72 RRPWLQGF 0.4
73 RRPWLPRF 0.41
74 HRPFLPPF 0.41
75 ERPPLRRF 0.41
76 HRPPLRPF 0.41
77 ERPWLPRF 0.42
78 HRPWLPPF 0.42
79 RRPFLRPF 0.42
80 ERPFLRPF 0.43
81 RRPPLFRF 0.44
82 KRPPLQGF 0.44
83 RRPWLRPF 0.44
84 KRPELQRF 0.44
85 ERPPLFRF 0.44
86 ERPWLRPF 0.44
87 HRPPLFPF 0.45
88 KRPPLPRF 0.45
89 KRPFLQEF 0.45
90 RRPFLFPF 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERPPLQEF

2.74

-9.95

-7.21
2 RRPPLQGF

4.59

-11.63

-7.04
3 KRPPLQPF

3.92

-10.82

-6.9
4 RRPPLPPF

3.03

-8.9

-5.87
5 ERPPLQGF

3.67

-9.54

-5.87
6 ERPPLPPF

4.31

-10.0

-5.69
7 RRPFLQPF

3.42

-9.09

-5.67
8 RRPPLQPF

3.23

-8.87

-5.64
9 ERPFLQRF

3.99

-9.49

-5.5
10 ERPPLQRF

4.04

-9.42

-5.38
11 KRPWLQPF

4.37

-9.72

-5.35
12 HRPPLQEF

3.7

-8.96

-5.26
13 KRPPLQRF

4.37

-9.6

-5.23
14 ERPFLQPF

3.34

-8.51

-5.17
15 HRPPLQRF

3.57

-8.67

-5.1
16 ERPELQPF

3.7

-8.3

-4.6
17 RRPELQPF

4.85

-9.35

-4.5
18 ERPPLQPF

3.57

-8.04

-4.47
19 RRPPLQEF

4.64

-9.0

-4.36
20 RRPELQRF

4.58

-8.85

-4.27
21 RRPFLQRF

3.84

-8.07

-4.23
22 HRPPLQPF

3.49

-7.67

-4.18
23 RRPPLQRF

5.5

-9.57

-4.07
24 ERPWLQRF

4.4

-8.31

-3.91
25 RRPWLQRF

3.94

-7.82

-3.88
26 HRPFLQPF

4.37

-8.05

-3.68
27 KRPFLQPF

4.49

-8.06

-3.57
28 ERPWLQPF

3.2

-6.53

-3.33
29 RRPWLQPF

3.43

-6.58

-3.15
30 HRPWLQPF

4.05

-6.08

-2.03

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER