Predicted ligand sequences


ADAN-name: 1DS52.PDB (view again the scoring matrix)

PDB name: [1DS5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R L Y G F K I H P M A Y Q L Q L Q A
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala
A
A
A
G
A
 A A A
A
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 14.560 ΔGbinding 3.284
TOTAL
 17.844
Backbone Hb -1.463 Cis_bond 0.000
Sidechain Hb -2.675 Torsional clash 2.694
Van der Waals -9.268 Backbone clash 3.449
Electrostatics -1.881 Helix dipole 0.000
Solvation Polar 8.675 Water bridges -0.059
Solvation Hyd -14.809 Disulfide 0.000
VdW clashes 13.605 Electrost. Kon -1.482
Entropy sc 4.703 Part.cov.bonds 0.000
Entropy mc

5.245

 ΔGstability

232.148
       

Predicted ligand sequences for template [1DS52.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).
 
  1DS52.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKKPKRDYGCPFNSHMyP 0.0
2 RKKPKRDYGCPFNSHMyK 0.01
3 RKKPKRDYGCPFTSHMyP 0.04
4 RKKPKRDYGCPFKSHMyP 0.04
5 RKKPKRDYGCPFNSHMyH 0.05
6 RKKPKRDYGCPFTSHMyK 0.05
7 RKKPKRDYGCPFKSHMyK 0.05
8 RKKPKRIYGCPFNSHMyP 0.06
9 RKKPKRDYGCPFNSHMRP 0.06
10 RKKGKRDYGCPFNSHMyP 0.07
11 RKKPKRIYGCPFNSHMyK 0.07
12 RKKPKRDYGCPFNSHMRK 0.07
13 RKKPKRDYGCPFTSHMyH 0.08
14 RKKGKRDYGCPFNSHMyK 0.08
15 RKKPKRDYGCPFKSHMyH 0.08
16 RKKPKRIYGCPFKSHMyP 0.1
17 RKKPKRIYGCPFTSHMyP 0.1
18 RKKPKRDYGCPFKSHMRP 0.1
19 RKKPKRDYGCPFTSHMRP 0.1
20 RKKGKRDYGCPFTSHMyP 0.11
21 RKKGKRDYGCPFNSHMyH 0.11
22 RKKPKRIYGCPFKSHMyK 0.11
23 RKKPKRIYGCPFNSHMyH 0.11
24 RKKGKRDYGCPFKSHMyP 0.11
25 RKKPKRDYGCPFNSHMRH 0.11
26 RKKPKRIYGCPFTSHMyK 0.11
27 RKKPKRDYGCPFKSHMRK 0.11
28 RKKPKRDYGCPFTSHMRK 0.11
29 KKKPKRDYGCPFNSHMyP 0.12
30 HKKPKRDYGCPFNSHMyP 0.12
31 RKKGKRDYGCPFTSHMyK 0.12
32 RKKGKRDYGCPFKSHMyK 0.12
33 KKKPKRDYGCPFNSHMyK 0.13
34 RKKGKRIYGCPFNSHMyP 0.13
35 HKKPKRDYGCPFNSHMyK 0.13
36 RKKPKRIYGCPFNSHMRP 0.13
37 RKKGKRDYGCPFNSHMRP 0.13
38 RKKGKRIYGCPFNSHMyK 0.14
39 RKKPKRIYGCPFNSHMRK 0.14
40 RHKPKRDYGCPFNSHMyP 0.14
41 RKKGKRDYGCPFNSHMRK 0.14
42 RKKGKRDYGCPFKSHMyH 0.15
43 RPKPKRDYGCPFNSHMyP 0.15
44 RKKGKRDYGCPFTSHMyH 0.15
45 RKKPKRIYGCPFKSHMyH 0.15
46 RKKPKRIYGCPFTSHMyH 0.15
47 RKKPKRDYGCPFKSHMRH 0.15
48 RKKPKRDYGCPFTSHMRH 0.15
49 KKKPKRDYGCPFNSHMyH 0.16
50 KKKPKRDYGCPFTSHMyP 0.16
51 HKKPKRDYGCPFKSHMyP 0.16
52 KKKPKRDYGCPFKSHMyP 0.16
53 RPKPKRDYGCPFNSHMyK 0.16
54 RHKPKRDYGCPFNSHMyK 0.16
55 HKKPKRDYGCPFTSHMyP 0.16
56 RKKGKRDYGCPFTSHMRP 0.17
57 KKKPKRDYGCPFTSHMyK 0.17
58 HKKPKRDYGCPFKSHMyK 0.17
59 RKKPKRIYGCPFKSHMRP 0.17
60 RKKGKRDYGCPFKSHMRP 0.17
61 RKKPKRIYGCPFTSHMRP 0.17
62 RKKPKRIYGCPFNSHMRH 0.17
63 RKKGKRIYGCPFTSHMyP 0.17
64 KKKPKRDYGCPFKSHMyK 0.17
65 HKKPKRDYGCPFNSHMyH 0.17
66 RKKGKRDYGCPFNSHMRH 0.17
67 RKKGKRIYGCPFKSHMyP 0.17
68 HKKPKRDYGCPFTSHMyK 0.17
69 RKKIKRDYGCPFNSHMyP 0.17
70 RKKPKNDYGCPFNSHMyP 0.17
71 RKKGKRIYGCPFNSHMyH 0.18
72 RHKPKRDYGCPFTSHMyP 0.18
73 RKKGKRDYGCPFTSHMRK 0.18
74 RKKPKRIYGCPFKSHMRK 0.18
75 RKKPKRIYGCPFTSHMRK 0.18
76 RKKGKRIYGCPFTSHMyK 0.18
77 RHKPKRDYGCPFKSHMyP 0.18
78 KKKPKRIYGCPFNSHMyP 0.18
79 RKKGKRDYGCPFKSHMRK 0.18
80 KKKPKRDYGCPFNSHMRP 0.18
81 RKKIKRDYGCPFNSHMyK 0.18
82 RKKGKRIYGCPFKSHMyK 0.18
83 RHKPKRDYGCPFTSHMyK 0.19
84 RHKPKRDYGCPFKSHMyK 0.19
85 KKKPKRIYGCPFNSHMyK 0.19
86 HKKPKRDYGCPFNSHMRP 0.19
87 RPKPKRDYGCPFKSHMyP 0.19
88 KKKPKRDYGCPFNSHMRK 0.19
89 KKKGKRDYGCPFNSHMyP 0.19
90 RKKGKRIYGCPFNSHMRP 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKKGKRDYGCPFNSHMyH

6.03

-13.51

-7.48
2 RKKGKRDYGCPFTSHMyP

7.33

-14.36

-7.03
3 RKKPKRIYGCPFNSHMyH

7.64

-14.66

-7.02
4 RKKPKRDYGCPFKSHMyH

7.55

-14.31

-6.76
5 RKKPKRIYGCPFTSHMyP

8.94

-15.51

-6.57
6 RKKGKRDYGCPFNSHMyK

5.75

-12.18

-6.43
7 RKKPKRIYGCPFKSHMyP

8.79

-14.77

-5.98
8 RKKPKRIYGCPFNSHMyK

7.4

-13.22

-5.82
9 RKKGKRDYGCPFNSHMyP

7.33

-12.97

-5.64
10 RKKGKRDYGCPFKSHMyP

7.1

-12.72

-5.62
11 RKKPKRDYGCPFNSHMyH

7.88

-13.46

-5.58
12 RKKPKRIYGCPFNSHMyP

9.04

-14.52

-5.48
13 RKKPKRDYGCPFTSHMyP

8.88

-14.11

-5.23
14 KKKPKRDYGCPFNSHMyP

8.6

-13.77

-5.17
15 RKKPKRDYGCPFNSHMRH

7.26

-12.33

-5.07
16 RKKPKRDYGCPFKSHMyP

8.58

-13.57

-4.99
17 RKKPKRDYGCPFKSHMRK

7.66

-12.58

-4.92
18 RKKPKRDYGCPFTSHMyK

7.81

-12.71

-4.9
19 RKKPKRDYGCPFTSHMyH

7.64

-12.4

-4.76
20 RKKPKRDYGCPFNSHMRP

9.71

-14.46

-4.75
21 RKKPKRDYGCPFNSHMyK

6.79

-11.48

-4.69
22 RKKPKRDYGCPFTSHMRP

9.7

-14.2

-4.5
23 RKKPKRDYGCPFNSHMyP

8.91

-13.09

-4.18
24 HKKPKRDYGCPFNSHMyP

8.45

-12.59

-4.14
25 RKKPKRDYGCPFNSHMRK

7.54

-11.59

-4.05
26 RKKPKRIYGCPFKSHMyK

8.16

-12.04

-3.88
27 RKKPKRIYGCPFTSHMyK

8.14

-11.55

-3.41
28 RKKPKRDYGCPFKSHMRP

10.01

-12.99

-2.98
29 RKKPKRDYGCPFKSHMyK

7.44

-10.22

-2.78
30 RKKPKRDYGCPFTSHMRK

7.86

-9.18

-1.32

 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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