Predicted ligand sequences


ADAN-name: 1Q242.PDB (view again the scoring matrix)

PDB name: [1Q24.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 6.384 ΔGbinding -32.045
TOTAL
 -25.661
Backbone Hb -7.163 Cis_bond 0.000
Sidechain Hb -12.437 Torsional clash 1.339
Van der Waals -19.388 Backbone clash 0.510
Electrostatics -13.255 Helix dipole 0.157
Solvation Polar 30.177 Water bridges -0.582
Solvation Hyd -23.703 Disulfide 0.000
VdW clashes 0.928 Electrost. Kon -5.320
Entropy sc 8.570 Part.cov.bonds 0.000
Entropy mc

8.633

 ΔGstability

-29.735
       

Predicted ligand sequences for template [1Q242.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).
 
  1Q242.PDB  

(data)
# Predicted Sequences Value Calculate
1 yRFyWFRVCRWMYKRRQIFG 0.0
2 yRFyWFRKCRWMYKRRQIFG 0.0
3 yRFyWFRRCRWMYKRRQIFG 0.01
4 yRFyWFRKMRWMYKRRQIFG 0.02
5 yRFyWFRVMRWMYKRRQIFG 0.02
6 yRFDWFRVCRWMYKRRQIFG 0.03
7 yRFyWFRRMRWMYKRRQIFG 0.03
8 yRFpWFRVCRWMYKRRQIFG 0.04
9 yRFDWFRRCRWMYKRRQIFG 0.04
10 yRFpWFRKCRWMYKRRQIFG 0.04
11 yRFDWFRKCRWMYKRRQIFG 0.04
12 yRFpWFRVMRWMYKRRQIFG 0.05
13 yRFDWFRVMRWMYKRRQIFG 0.05
14 yRFDWFRKMRWMYKRRQIFG 0.05
15 yRFpWFRRCRWMYKRRQIFG 0.05
16 yRFpWFRKMRWMYKRRQIFG 0.06
17 yRFDWFRRMRWMYKRRQIFG 0.06
18 yRFpWFRRMRWMYKRRQIFG 0.07
19 yRFyWFRKCRWMYKRRQIMG 0.13
20 yRFyWFRVCRWMYKRRQIMG 0.13
21 yRFyWFRRCRWMYKRRQIMG 0.14
22 yRFyWFWVCRWMYKRRQIFG 0.14
23 yRFyWFWKCRWMYKRRQIFG 0.15
24 yRFyWFRKMRWMYKRRQIMG 0.15
25 yRFyWFRVMRWMYKRRQIMG 0.15
26 yRFyWFRRMRWMYKRRQIMG 0.16
27 yRFDWFRKCRWMYKRRQIMG 0.16
28 yRFyWFWKMRWMYKRRQIFG 0.16
29 yRFyWFWRCRWMYKRRQIFG 0.16
30 yRFDWFRVCRWMYKRRQIMG 0.16
31 yRFyWFWVMRWMYKRRQIFG 0.16
32 yRFyWFWRMRWMYKRRQIFG 0.17
33 yRFpWFRVCRWMYKRRQIMG 0.17
34 yRFDWFRRCRWMYKRRQIMG 0.17
35 yRFDWFWVCRWMYKRRQIFG 0.17
36 yRFpWFRKCRWMYKRRQIMG 0.17
37 yRFpWFWVCRWMYKRRQIFG 0.18
38 yRFpWFRRCRWMYKRRQIMG 0.18
39 yRFDWFRKMRWMYKRRQIMG 0.18
40 yRFDWFWKCRWMYKRRQIFG 0.18
41 yRFyWFRVCRWLYKRRQIFG 0.18
42 yRFDWFRVMRWMYKRRQIMG 0.18
43 yRFpWFRVMRWMYKRRQIMG 0.18
44 yRFpWFWKCRWMYKRRQIFG 0.18
45 yRFDWFWRCRWMYKRRQIFG 0.19
46 yRFpWFRKMRWMYKRRQIMG 0.19
47 yRFyWWRKCRWMYKRRQIFG 0.19
48 yRFDWFRRMRWMYKRRQIMG 0.19
49 yRFyWFRKCRWLYKRRQIFG 0.19
50 yRFpWFWRCRWMYKRRQIFG 0.19
51 yRFDWFWVMRWMYKRRQIFG 0.19
52 yRFyWWRVCRWMYKRRQIFG 0.19
53 yRFyFFRVCRWMYKRRQIFG 0.2
54 yRFpWFRRMRWMYKRRQIMG 0.2
55 yRFyWFRVMRWLYKRRQIFG 0.2
56 yRFyWWRRCRWMYKRRQIFG 0.2
57 yRFDWFWKMRWMYKRRQIFG 0.2
58 yRFyWFRRCRWLYKRRQIFG 0.2
59 yRFyWFRKMRWLYKRRQIFG 0.2
60 yRFpWFWVMRWMYKRRQIFG 0.2
61 yRFyWWRVMRWMYKRRQIFG 0.2
62 yRFpWFWKMRWMYKRRQIFG 0.2
63 yRFyWFRRMRWLYKRRQIFG 0.21
64 yRFyWWRKMRWMYKRRQIFG 0.21
65 yRFDWFWRMRWMYKRRQIFG 0.21
66 yRFDWFRVCRWLYKRRQIFG 0.21
67 yRFyFFRKCRWMYKRRQIFG 0.21
68 yRFpWFWRMRWMYKRRQIFG 0.21
69 yRFDWWRVCRWMYKRRQIFG 0.22
70 yRFDWFRKCRWLYKRRQIFG 0.22
71 yRFDWWRKCRWMYKRRQIFG 0.22
72 yRFpWFRKCRWLYKRRQIFG 0.22
73 yRFpWWRVCRWMYKRRQIFG 0.22
74 yRFyFFRRCRWMYKRRQIFG 0.22
75 yRFyFFRVMRWMYKRRQIFG 0.22
76 yRFpWFRVCRWLYKRRQIFG 0.22
77 yRFyWWRRMRWMYKRRQIFG 0.22
78 yRFyFFRKMRWMYKRRQIFG 0.23
79 yRFDWWRVMRWMYKRRQIFG 0.23
80 yRFDWFRVMRWLYKRRQIFG 0.23
81 yRFDWFRRCRWLYKRRQIFG 0.23
82 yRFpWFRVMRWLYKRRQIFG 0.23
83 yRFpWWRKCRWMYKRRQIFG 0.23
84 yRFDWWRRCRWMYKRRQIFG 0.23
85 yRFDWFRKMRWLYKRRQIFG 0.23
86 yRFpWFRRCRWLYKRRQIFG 0.23
87 yRFpWFRKMRWLYKRRQIFG 0.24
88 yRFpWWRRCRWMYKRRQIFG 0.24
89 yRFDWWRKMRWMYKRRQIFG 0.24
90 yRFpWWRKMRWMYKRRQIFG 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yRFpWFRKCRWMYKRRQIFG

4.47

-44.77

-40.3
2 yRFyWFRKMRWMYKRRQIMG

4.15

-43.61

-39.46
3 yRFyWFRVMRWMYKRRQIFG

6.15

-44.57

-38.42
4 yRFyWFRRCRWMYKRRQIFG

4.03

-41.36

-37.33
5 yRFyWFRKMRWMYKRRQIFG

7.45

-44.26

-36.81
6 yRFyWFRKCRWMYKRRQIFG

4.3

-40.68

-36.38
7 yRFDWFRKMRWMYKRRQIFG

4.63

-40.94

-36.31
8 yRFDWFRVCRWMYKRRQIMG

4.16

-40.13

-35.97
9 yRFyWFRVCRWMYKRRQIMG

4.13

-39.57

-35.44
10 yRFDWFRVMRWMYKRRQIFG

4.64

-39.62

-34.98
11 yRFpWFRVCRWMYKRRQIFG

4.03

-38.98

-34.95
12 yRFpWFRRCRWMYKRRQIFG

4.31

-39.14

-34.83
13 yRFyWFRRCRWMYKRRQIMG

4.07

-38.7

-34.63
14 yRFyWFWKMRWMYKRRQIFG

6.14

-39.28

-33.14
15 yRFDWFRRMRWMYKRRQIFG

7.42

-40.45

-33.03
16 yRFDWFRRCRWMYKRRQIFG

5.13

-38.08

-32.95
17 yRFyWFWVCRWMYKRRQIFG

4.69

-37.2

-32.51
18 yRFyWFRRMRWMYKRRQIMG

8.21

-40.28

-32.07
19 yRFyWFRVMRWMYKRRQIMG

7.86

-39.92

-32.06
20 yRFDWFRKCRWMYKRRQIMG

4.09

-35.86

-31.77
21 yRFyWFRRMRWMYKRRQIFG

7.47

-37.88

-30.41
22 yRFyWFRVCRWMYKRRQIFG

6.3

-35.61

-29.31
23 yRFDWFRVCRWMYKRRQIFG

5.78

-35.08

-29.3
24 yRFDWFRKCRWMYKRRQIFG

5.91

-34.34

-28.43
25 yRFyWFWKCRWMYKRRQIFG

4.51

-32.9

-28.39
26 yRFyWFWRCRWMYKRRQIFG

5.84

-33.67

-27.83
27 yRFyWFRKCRWMYKRRQIMG

4.46

-31.59

-27.13
28 yRFpWFRRMRWMYKRRQIFG

8.44

-34.91

-26.47
29 yRFpWFRKMRWMYKRRQIFG

8.22

-34.32

-26.1
30 yRFpWFRVMRWMYKRRQIFG

9.61

-34.42

-24.81

 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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