Predicted ligand sequences


ADAN-name: 1Q612.PDB (view again the scoring matrix)

PDB name: [1Q61.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
 A
G
A
 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 5.140 ΔGbinding -31.339
TOTAL
 -26.199
Backbone Hb -5.713 Cis_bond 0.000
Sidechain Hb -11.750 Torsional clash 0.881
Van der Waals -18.157 Backbone clash 0.205
Electrostatics -12.200 Helix dipole 0.113
Solvation Polar 27.283 Water bridges -0.365
Solvation Hyd -22.078 Disulfide 0.000
VdW clashes 0.278 Electrost. Kon -5.259
Entropy sc 8.616 Part.cov.bonds 0.000
Entropy mc

7.012

 ΔGstability

-49.853
       

Predicted ligand sequences for template [1Q612.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).
 
  1Q612.PDB  

(data)
# Predicted Sequences Value Calculate
1 EREyFFWKMTRMYRRRMIyT 0.0
2 EREyFFWRMTRMYRRRMIyT 0.0
3 EREyFFWHMTRMYRRRMIyT 0.0
4 DREyFFWKMTRMYRRRMIyT 0.02
5 DREyFFWRMTRMYRRRMIyT 0.02
6 DREyFFWHMTRMYRRRMIyT 0.02
7 EREyKFWKMTRMYRRRMIyT 0.04
8 EREyKFWHMTRMYRRRMIyT 0.04
9 EREyKFWRMTRMYRRRMIyT 0.04
10 EREsFFWRMTRMYRRRMIyT 0.04
11 EREsFFWHMTRMYRRRMIyT 0.04
12 EREsFFWKMTRMYRRRMIyT 0.04
13 EREpFFWRMTRMYRRRMIyT 0.05
14 sREyFFWHMTRMYRRRMIyT 0.05
15 EREpFFWHMTRMYRRRMIyT 0.05
16 sREyFFWRMTRMYRRRMIyT 0.05
17 DREyKFWKMTRMYRRRMIyT 0.06
18 sREyFFWKMTRMYRRRMIyT 0.06
19 ERsyFFWHMTRMYRRRMIyT 0.06
20 ERsyFFWKMTRMYRRRMIyT 0.06
21 EREyFFWHRTRMYRRRMIyT 0.06
22 DREyKFWRMTRMYRRRMIyT 0.06
23 EREpFFWKMTRMYRRRMIyT 0.06
24 ERsyFFWRMTRMYRRRMIyT 0.06
25 EREyFFWRRTRMYRRRMIyT 0.06
26 DREyKFWHMTRMYRRRMIyT 0.06
27 EREyFFWKRTRMYRRRMIyT 0.06
28 DREsFFWKMTRMYRRRMIyT 0.06
29 DREsFFWHMTRMYRRRMIyT 0.06
30 DREsFFWRMTRMYRRRMIyT 0.06
31 EREyFFRHMTRMYRRRMIyT 0.07
32 EREyFFRKMTRMYRRRMIyT 0.07
33 DREpFFWRMTRMYRRRMIyT 0.07
34 DREpFFWHMTRMYRRRMIyT 0.07
35 EREyFFWRMTRMYRRRMFyT 0.07
36 EREyFFRRMTRMYRRRMIyT 0.07
37 EREyFFWHMTRMYRRRMFyT 0.07
38 DREyFFWHRTRMYRRRMIyT 0.08
39 EREsKFWRMTRMYRRRMIyT 0.08
40 DREyFFWRRTRMYRRRMIyT 0.08
41 DRsyFFWKMTRMYRRRMIyT 0.08
42 DRsyFFWHMTRMYRRRMIyT 0.08
43 DREpFFWKMTRMYRRRMIyT 0.08
44 EREsKFWHMTRMYRRRMIyT 0.08
45 EREsKFWKMTRMYRRRMIyT 0.08
46 DRsyFFWRMTRMYRRRMIyT 0.08
47 EREyFFWKMTRMYRRRMFyT 0.08
48 DREyFFWKRTRMYRRRMIyT 0.08
49 sREyKFWRMTRMYRRRMIyT 0.09
50 DREyFFRRMTRMYRRRMIyT 0.09
51 EREpKFWRMTRMYRRRMIyT 0.09
52 sREsFFWHMTRMYRRRMIyT 0.09
53 sREyKFWHMTRMYRRRMIyT 0.09
54 DREyFFRHMTRMYRRRMIyT 0.09
55 DREyFFRKMTRMYRRRMIyT 0.09
56 sREsFFWRMTRMYRRRMIyT 0.09
57 EREpKFWHMTRMYRRRMIyT 0.09
58 DREsKFWRMTRMYRRRMIyT 0.1
59 DREsKFWKMTRMYRRRMIyT 0.1
60 EREpKFWKMTRMYRRRMIyT 0.1
61 EREyKFWRRTRMYRRRMIyT 0.1
62 EREyFRWHMTRMYRRRMIyT 0.1
63 ERssFFWHMTRMYRRRMIyT 0.1
64 EREyFRWKMTRMYRRRMIyT 0.1
65 sREyKFWKMTRMYRRRMIyT 0.1
66 ERssFFWKMTRMYRRRMIyT 0.1
67 DREsKFWHMTRMYRRRMIyT 0.1
68 ERsyKFWHMTRMYRRRMIyT 0.1
69 DREyFFWRMTRMYRRRMFyT 0.1
70 DREyFFWHMTRMYRRRMFyT 0.1
71 EREsFFWHRTRMYRRRMIyT 0.1
72 sREsFFWKMTRMYRRRMIyT 0.1
73 ERssFFWRMTRMYRRRMIyT 0.1
74 ERsyKFWKMTRMYRRRMIyT 0.1
75 EREyKFWHRTRMYRRRMIyT 0.1
76 EREsFFWKRTRMYRRRMIyT 0.1
77 DREyFFWKMTRMYRRRMFyT 0.1
78 EREyFRWRMTRMYRRRMIyT 0.1
79 EREyKFWKRTRMYRRRMIyT 0.1
80 EREsFFWRRTRMYRRRMIyT 0.1
81 ERsyKFWRMTRMYRRRMIyT 0.1
82 ERspFFWRMTRMYRRRMIyT 0.11
83 ERsyFFWRRTRMYRRRMIyT 0.11
84 sREyFFWHRTRMYRRRMIyT 0.11
85 sREyFFWRRTRMYRRRMIyT 0.11
86 ERspFFWHMTRMYRRRMIyT 0.11
87 EREsFFRRMTRMYRRRMIyT 0.11
88 sREyFFWKRTRMYRRRMIyT 0.11
89 EREyKFRHMTRMYRRRMIyT 0.11
90 DREpKFWHMTRMYRRRMIyT 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DREsFFWKMTRMYRRRMIyT

6.64

-42.7

-36.06
2 DREyKFWRMTRMYRRRMIyT

7.05

-43.07

-36.02
3 EREyKFWRMTRMYRRRMIyT

6.68

-41.67

-34.99
4 ERsyFFWKMTRMYRRRMIyT

6.63

-41.53

-34.9
5 EREyKFWKMTRMYRRRMIyT

7.15

-42.03

-34.88
6 EREpFFWHMTRMYRRRMIyT

6.87

-41.38

-34.51
7 EREpFFWKMTRMYRRRMIyT

6.84

-41.33

-34.49
8 EREyFFWRMTRMYRRRMIyT

6.36

-40.83

-34.47
9 sREyFFWHMTRMYRRRMIyT

7.34

-41.5

-34.16
10 EREyKFWHMTRMYRRRMIyT

6.49

-39.06

-32.57
11 DREyFFWKMTRMYRRRMIyT

6.91

-39.41

-32.5
12 EREyFFWKRTRMYRRRMIyT

6.76

-39.24

-32.48
13 DREyFFWHMTRMYRRRMIyT

6.86

-39.26

-32.4
14 DREyFFWRMTRMYRRRMIyT

7.99

-40.23

-32.24
15 EREsFFWKMTRMYRRRMIyT

6.39

-38.6

-32.21
16 ERsyFFWRMTRMYRRRMIyT

6.37

-38.45

-32.08
17 DREyKFWHMTRMYRRRMIyT

6.69

-38.73

-32.04
18 EREsFFWRMTRMYRRRMIyT

6.8

-38.56

-31.76
19 EREyFFWKMTRMYRRRMIyT

7.03

-38.65

-31.62
20 DREsFFWRMTRMYRRRMIyT

6.37

-37.78

-31.41
21 EREyFFWHMTRMYRRRMIyT

6.72

-38.11

-31.39
22 EREsFFWHMTRMYRRRMIyT

7.0

-38.29

-31.29
23 sREyFFWRMTRMYRRRMIyT

6.51

-37.69

-31.18
24 sREyFFWKMTRMYRRRMIyT

6.82

-37.69

-30.87
25 DREyKFWKMTRMYRRRMIyT

6.99

-37.74

-30.75
26 EREpFFWRMTRMYRRRMIyT

7.64

-37.96

-30.32
27 DREsFFWHMTRMYRRRMIyT

7.27

-36.99

-29.72
28 ERsyFFWHMTRMYRRRMIyT

6.96

-36.66

-29.7
29 EREyFFWRRTRMYRRRMIyT

10.13

-39.13

-29.0
30 EREyFFWHRTRMYRRRMIyT

9.23

-36.73

-27.5

 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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