Predicted ligand sequences


ADAN-name: 1KA62.PDB (view again the scoring matrix)

PDB name: [1KA6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R K S L T I y A
position 1 2 3 4 5 6 7 8
poly-Ala
A
A
A
 A
A
 A
y
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 8.982 ΔGbinding -5.960
TOTAL
 3.022
Backbone Hb -2.540 Cis_bond 0.000
Sidechain Hb -4.400 Torsional clash 0.430
Van der Waals -9.410 Backbone clash 0.920
Electrostatics -3.580 Helix dipole 0.030
Solvation Polar 16.030 Water bridges -1.560
Solvation Hyd -11.070 Disulfide 0.000
VdW clashes 1.050 Electrost. Kon -2.080
Entropy sc 6.240 Part.cov.bonds 0.000
Entropy mc

4.900

 ΔGstability

45.420
       

Predicted ligand sequences for template [1KA62.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).
 
  1KA62.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRSyDMyF 0.0
2 RHSyDMyF 0.01
3 RRPyDMyF 0.01
4 RISyDMyF 0.01
5 RIPyDMyF 0.02
6 RRAyDMyF 0.02
7 HRSyDMyF 0.02
8 RHPyDMyF 0.02
9 HHSyDMyF 0.03
10 RHAyDMyF 0.03
11 RIAyDMyF 0.03
12 HISyDMyF 0.03
13 HRPyDMyF 0.03
14 HHPyDMyF 0.04
15 HIPyDMyF 0.04
16 HRAyDMyF 0.04
17 HIAyDMyF 0.05
18 HHAyDMyF 0.05
19 RRSyDFyF 0.07
20 KRSyDMyF 0.07
21 RRSyDLyF 0.07
22 RRSLDMyF 0.08
23 RISyDFyF 0.08
24 RHSyDFyF 0.08
25 KISyDMyF 0.08
26 RISyDLyF 0.08
27 KHSyDMyF 0.08
28 RHSyDLyF 0.08
29 RRPyDFyF 0.08
30 KRPyDMyF 0.08
31 RRPyDLyF 0.08
32 KIPyDMyF 0.09
33 RHPyDLyF 0.09
34 RIPyDLyF 0.09
35 RRSFDMyF 0.09
36 RHSLDMyF 0.09
37 KRAyDMyF 0.09
38 RHPyDFyF 0.09
39 RRAyDLyF 0.09
40 RIPyDFyF 0.09
41 RRAyDFyF 0.09
42 HRSyDLyF 0.09
43 HRSyDFyF 0.09
44 RISLDMyF 0.09
45 RRPLDMyF 0.09
46 KHPyDMyF 0.09
47 HRPyDLyF 0.1
48 HRPyDFyF 0.1
49 HHSyDLyF 0.1
50 RHSFDMyF 0.1
51 KHAyDMyF 0.1
52 RHAyDLyF 0.1
53 RHAyDFyF 0.1
54 HRSLDMyF 0.1
55 HHSyDFyF 0.1
56 HISyDLyF 0.1
57 KIAyDMyF 0.1
58 RISFDMyF 0.1
59 RIAyDFyF 0.1
60 RIPLDMyF 0.1
61 HISyDFyF 0.1
62 RRPFDMyF 0.1
63 RIAyDLyF 0.1
64 RRALDMyF 0.1
65 RHPLDMyF 0.1
66 HIPyDLyF 0.11
67 HRSFDMyF 0.11
68 HHPyDFyF 0.11
69 HISLDMyF 0.11
70 HHSLDMyF 0.11
71 HHPyDLyF 0.11
72 RRAFDMyF 0.11
73 RIALDMyF 0.11
74 HRAyDFyF 0.11
75 HRPLDMyF 0.11
76 RIPFDMyF 0.11
77 HRAyDLyF 0.11
78 HIPyDFyF 0.11
79 RHPFDMyF 0.11
80 RHALDMyF 0.11
81 HHAyDFyF 0.12
82 HIAyDLyF 0.12
83 HHSFDMyF 0.12
84 HIAyDFyF 0.12
85 HISFDMyF 0.12
86 HHPLDMyF 0.12
87 RHAFDMyF 0.12
88 HRALDMyF 0.12
89 HRPFDMyF 0.12
90 HIPLDMyF 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RISyDMyF

9.65

-7.91

1.74
2 RRSyDLyF

7.88

-5.03

2.85
3 HHAyDMyF

7.1

-3.7

3.4
4 RRPyDFyF

8.45

-4.94

3.51
5 HHSyDMyF

7.92

-4.4

3.52
6 RRPyDMyF

8.39

-4.82

3.57
7 RRSyDMyF

9.08

-5.5

3.58
8 RISyDLyF

9.1

-5.25

3.85
9 HRPyDMyF

10.08

-6.13

3.95
10 KISyDMyF

8.31

-4.23

4.08
11 RHSyDLyF

10.27

-6.12

4.15
12 HIAyDMyF

7.84

-3.69

4.15
13 RIAyDMyF

9.32

-5.04

4.28
14 RHPyDMyF

9.25

-4.92

4.33
15 HRSyDMyF

7.24

-2.8

4.44
16 KHSyDMyF

9.02

-4.57

4.45
17 RRSyDFyF

9.11

-4.58

4.53
18 HRAyDMyF

7.53

-2.99

4.54
19 RHAyDMyF

9.3

-4.76

4.54
20 HHPyDMyF

9.0

-4.44

4.56
21 KRPyDMyF

9.23

-4.65

4.58
22 RHSyDMyF

9.32

-4.56

4.76
23 RISyDFyF

9.6

-4.68

4.92
24 RRSLDMyF

9.86

-4.92

4.94
25 RHSyDFyF

9.11

-4.12

4.99
26 KRSyDMyF

9.55

-4.53

5.02
27 RIPyDMyF

9.51

-4.13

5.38
28 HISyDMyF

10.0

-4.54

5.46
29 HIPyDMyF

6.14

-0.68

5.46
30 RRAyDMyF

7.35

-0.76

6.59

 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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