Predicted ligand sequences


ADAN-name: 1Q1T3.PDB (view again the scoring matrix)

PDB name: [1Q1T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A A P P K K K R K V E
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala 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 5.904 ΔGbinding -24.803
TOTAL
 -18.899
Backbone Hb -10.700 Cis_bond 0.000
Sidechain Hb -13.725 Torsional clash 1.145
Van der Waals -16.547 Backbone clash 0.650
Electrostatics -3.143 Helix dipole -0.169
Solvation Polar 26.411 Water bridges -0.044
Solvation Hyd -19.201 Disulfide 0.000
VdW clashes 0.287 Electrost. Kon -1.884
Entropy sc 6.351 Part.cov.bonds 0.000
Entropy mc

6.415

 ΔGstability

-74.729
       

Predicted ligand sequences for template [1Q1T3.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).
 
  1Q1T3.PDB  

(data)
# Predicted Sequences Value Calculate
1 DESWRKMRWMY 0.0
2 DESWRKIRWMY 0.01
3 DESWRKMRWMy 0.05
4 DESWRKIRWMy 0.05
5 DESWRKMRWWY 0.13
6 DESWRKIRWWY 0.13
7 yESWRKIRWMY 0.14
8 yESWRKMRWMY 0.14
9 DDSWRKMRWMY 0.15
10 DDSWRKIRWMY 0.16
11 DESWRKMRWWy 0.17
12 yESWRKMRWMy 0.18
13 DESWRKIRWWy 0.18
14 yESWRKIRWMy 0.19
15 DDSWRKMRWMy 0.2
16 DDSWRKIRWMy 0.2
17 DESWRKMRWFY 0.23
18 DESWRKIRWFY 0.23
19 DESWRKMRWFy 0.27
20 yESWRKIRWWY 0.27
21 yESWRKMRWWY 0.27
22 DDSWRKMRWWY 0.28
23 DESWRKIRWFy 0.28
24 DDSWRKIRWWY 0.29
25 yDSWRKMRWMY 0.29
26 yDSWRKIRWMY 0.3
27 DESWEKMRWMY 0.3
28 DESWEKIRWMY 0.3
29 DESWRRMRWMY 0.31
30 yESWRKMRWWy 0.31
31 DESWRRIRWMY 0.31
32 yESWRKIRWWy 0.32
33 DsSWRKMRWMY 0.32
34 DDSWRKMRWWy 0.33
35 DsSWRKIRWMY 0.33
36 DESPRKMRWMY 0.33
37 DDSWRKIRWWy 0.33
38 yDSWRKIRWMy 0.34
39 DESKRKMRWMY 0.34
40 DESWEKMRWMy 0.34
41 DESKRKIRWMY 0.34
42 yDSWRKMRWMy 0.34
43 DESPRKIRWMY 0.34
44 DESWRRMRWMy 0.35
45 DESWEKIRWMy 0.35
46 DESWRRIRWMy 0.36
47 yESWRKMRWFY 0.36
48 DESWRKMRMMY 0.37
49 DsSWRKIRWMy 0.37
50 sESWRKIRWMY 0.37
51 DsSWRKMRWMy 0.37
52 yESWRKIRWFY 0.37
53 sESWRKMRWMY 0.37
54 DESWRKIRMMY 0.38
55 DDSWRKMRWFY 0.38
56 DESPRKMRWMy 0.38
57 DDSWRKIRWFY 0.38
58 DESPRKIRWMy 0.38
59 DESKRKMRWMy 0.39
60 DESKRKIRWMy 0.39
61 yESWRKIRWFy 0.41
62 yESWRKMRWFy 0.41
63 sESWRKMRWMy 0.41
64 DESWEKMRWWY 0.42
65 DESWRKMRMMy 0.42
66 DDSWRKMRWFy 0.42
67 sESWRKIRWMy 0.42
68 yDSWRKIRWWY 0.42
69 DESWRKIRMMy 0.42
70 yDSWRKMRWWY 0.42
71 DDSWRKIRWFy 0.43
72 DESWEKIRWWY 0.43
73 yESWEKMRWMY 0.43
74 DESWRKMRRMY 0.43
75 DESWRRIRWWY 0.44
76 yESWEKIRWMY 0.44
77 DESWRRMRWWY 0.44
78 DESWRKIRRMY 0.44
79 DDSWEKMRWMY 0.45
80 DsSWRKMRWWY 0.45
81 yESWRRMRWMY 0.45
82 DDSWEKIRWMY 0.45
83 yESWRRIRWMY 0.45
84 DDSWRRIRWMY 0.46
85 DESPRKMRWWY 0.46
86 ysSWRKMRWMY 0.46
87 DsSWRKIRWWY 0.46
88 DDSWRRMRWMY 0.46
89 DESKRKIRWWY 0.47
90 DESWEKMRWWy 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DESWRKMRWWY

5.83

-33.65

-27.82
2 DESWRKIRWMY

5.96

-30.24

-24.28
3 DESWEKMRWMY

6.21

-29.99

-23.78
4 yESWRKIRWMy

6.69

-30.18

-23.49
5 DDSWRKMRWMY

6.0

-29.37

-23.37
6 DESWEKIRWMY

7.07

-30.25

-23.18
7 DESWRKMRWWy

5.34

-28.21

-22.87
8 DESWRKIRWMy

8.54

-29.61

-21.07
9 DESWRRMRWMY

8.81

-29.86

-21.05
10 DDSWRKIRWWY

5.94

-26.42

-20.48
11 DESWRKMRWFy

6.57

-26.53

-19.96
12 DESWRKIRWWY

9.07

-27.64

-18.57
13 DESWRKIRWFy

6.5

-24.96

-18.46
14 DESWRKMRWMY

5.62

-23.82

-18.2
15 yESWRKIRWMY

8.29

-26.11

-17.82
16 yESWRKMRWMY

11.64

-29.21

-17.57
17 DDSWRKIRWMy

5.92

-23.22

-17.3
18 yESWRKMRWWY

8.05

-25.29

-17.24
19 DDSWRKIRWMY

10.73

-27.7

-16.97
20 yDSWRKIRWMY

8.61

-25.35

-16.74
21 yESWRKMRWWy

8.64

-23.51

-14.87
22 yDSWRKMRWMY

7.18

-22.0

-14.82
23 DDSWRKMRWMy

10.21

-25.01

-14.8
24 yESWRKIRWWY

8.33

-22.24

-13.91
25 yESWRKMRWMy

10.21

-23.68

-13.47
26 DDSWRKMRWWY

6.93

-19.93

-13.0
27 DESWRKIRWWy

9.3

-21.21

-11.91
28 DESWRKIRWFY

8.41

-16.7

-8.29
29 DESWRKMRWFY

6.26

-11.54

-5.28
30 DESWRKMRWMy

8.8

-8.11

0.69

 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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