Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-27.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
G
 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 4.869 ΔGbinding 8.955
TOTAL
 13.824
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.221
Van der Waals -4.260 Backbone clash 0.023
Electrostatics -0.134 Helix dipole 0.000
Solvation Polar 6.161 Water bridges -0.139
Solvation Hyd -5.473 Disulfide 0.000
VdW clashes 12.225 Electrost. Kon -0.145
Entropy sc 1.048 Part.cov.bonds 0.000
Entropy mc

2.501

 ΔGstability

38.372
       

Predicted ligand sequences for model [LSB1_1CKA-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPGDHIRR 0.0
2 RRRGDHIRR 0.07
3 FRPGDHIRR 0.14
4 HRPGDHIRR 0.14
5 RRPGDHIRW 0.15
6 RRPGDHIRK 0.17
7 HRRGDHIRR 0.21
8 FRRGDHIRR 0.21
9 RRPGDHMRR 0.21
10 RRRGDHIRW 0.22
11 RRRGDHIRK 0.24
12 RRPGDRIRR 0.24
13 RRRGDHMRR 0.28
14 FRPGDHIRW 0.28
15 HRPGDHIRW 0.29
16 RRKGDHIRR 0.31
17 FRPGDHIRK 0.31
18 HRPGDHIRK 0.31
19 RRPGRHIRR 0.31
20 RRRGDRIRR 0.31
21 HRPGDHMRR 0.34
22 FRPGDHMRR 0.34
23 RRPGDHRRR 0.35
24 FRRGDHIRW 0.35
25 HRRGDHIRW 0.36
26 RRPGDHMRW 0.36
27 RRPGDDIRR 0.37
28 HRRGDHIRK 0.38
29 HRPGDRIRR 0.38
30 FRRGDHIRK 0.38
31 FRPGDRIRR 0.38
32 RRRGRHIRR 0.38
33 RRPGDHMRK 0.38
34 RRPGDRIRW 0.39
35 FRRGDHMRR 0.41
36 RRPGDRIRK 0.41
37 RRRGDHRRR 0.42
38 HRRGDHMRR 0.42
39 RRRGDHMRW 0.43
40 RRRGDDIRR 0.44
41 FRPGRHIRR 0.44
42 RRRGDHMRK 0.45
43 RRPGDRMRR 0.45
44 FRKGDHIRR 0.45
45 FRRGDRIRR 0.45
46 HRPGRHIRR 0.45
47 HRKGDHIRR 0.45
48 HRRGDRIRR 0.45
49 RRPGNHIRR 0.45
50 RRKGDHIRW 0.46
51 RRPGRHIRW 0.46
52 RRRGDRIRW 0.46
53 RRKGDHIRK 0.48
54 RRPGRHIRK 0.48
55 HRPGDHRRR 0.48
56 FRPGDHRRR 0.48
57 RRRGDRIRK 0.48
58 RRPGDHRRW 0.49
59 HRPGDHMRW 0.49
60 FRPGDHMRW 0.49
61 HRPGDDIRR 0.51
62 FRPGDDIRR 0.51
63 FRPGDHMRK 0.51
64 RRKGDHMRR 0.52
65 HRRGRHIRR 0.52
66 RRPGRHMRR 0.52
67 RRRGNHIRR 0.52
68 RRPGDDIRW 0.52
69 RRRGDRMRR 0.52
70 RRPGDHRRK 0.52
71 FRRGRHIRR 0.52
72 FRPGDRIRW 0.52
73 HRPGDHMRK 0.52
74 HRPGDRIRW 0.53
75 RRRGRHIRW 0.53
76 RRPGDDIRK 0.54
77 RRPGRRIRR 0.55
78 HRRGDHRRR 0.55
79 HRPGDRIRK 0.55
80 RRKGDRIRR 0.55
81 FRPGDRIRK 0.55
82 FRRGDHRRR 0.55
83 RRRGRHIRK 0.55
84 RRRGDHRRW 0.56
85 FRRGDHMRW 0.56
86 HRRGDHMRW 0.56
87 RRPGDDMRR 0.58
88 HRRGDDIRR 0.58
89 FRPGDRMRR 0.58
90 FRRGDDIRR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRRGDHIRK

4.0

-10.06

-6.06
2 HRPGDHIRW

4.38

-8.52

-4.14
3 FRRGDHIRK

4.88

-8.7

-3.82
4 HRRGDHIRR

4.24

-7.93

-3.69
5 FRRGDHIRW

4.3

-7.98

-3.68
6 HRPGDHIRK

4.24

-7.87

-3.63
7 RRRGDHIRK

4.33

-7.69

-3.36
8 RRKGDHIRR

3.94

-7.22

-3.28
9 HRRGDHIRW

4.16

-7.17

-3.01
10 FRPGDHIRW

4.41

-7.15

-2.74
11 FRPGDHIRR

4.21

-6.94

-2.73
12 RRRGDHIRR

4.33

-7.06

-2.73
13 RRRGDRIRR

3.95

-6.67

-2.72
14 RRPGDHIRR

4.26

-6.88

-2.62
15 FRRGDHIRR

4.26

-6.86

-2.6
16 RRRGDHIRW

4.21

-6.81

-2.6
17 HRPGDHIRR

4.14

-6.57

-2.43
18 RRPGDHIRW

4.3

-6.68

-2.38
19 RRPGDDIRR

4.52

-6.72

-2.2
20 FRPGDHIRK

4.46

-6.64

-2.18
21 HRPGDHMRR

4.24

-6.08

-1.84
22 RRRGDHMRR

4.21

-6.01

-1.8
23 RRPGDRIRR

4.6

-5.98

-1.38
24 FRPGDHMRR

4.29

-5.64

-1.35
25 RRPGDHIRK

4.39

-5.58

-1.19
26 HRPGDRIRR

5.16

-6.14

-0.98
27 RRPGDHRRR

4.68

-5.44

-0.76
28 RRPGDHMRR

4.69

-5.25

-0.56
29 RRPGRHIRR

5.28

-5.63

-0.35
30 RRPGDHMRW

4.13

-4.36

-0.23

 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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