Predicted ligand sequences


ADAN-name: 1Q622.PDB (view again the scoring matrix)

PDB name: [1Q62.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 7.164 ΔGbinding -38.173
TOTAL
 -31.009
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -17.625 Torsional clash 0.976
Van der Waals -18.253 Backbone clash 3.129
Electrostatics -14.140 Helix dipole 0.094
Solvation Polar 27.964 Water bridges -0.189
Solvation Hyd -22.006 Disulfide 0.000
VdW clashes 0.323 Electrost. Kon -6.293
Entropy sc 9.921 Part.cov.bonds 0.000
Entropy mc

5.880

 ΔGstability

-40.454
       

Predicted ligand sequences for template [1Q622.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).
 
  1Q622.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyYyYFYIMRRRRRRsFIFE 0.0
2 yyYyYFYKMRRRRRRsFIFE 0.0
3 yyYyYFYRMRRRRRRsFIFE 0.0
4 yyYsYFYRMRRRRRRsFIFE 0.02
5 yyYsYFYKMRRRRRRsFIFE 0.02
6 yyYpYFYRMRRRRRRsFIFE 0.03
7 yyYsYFYIMRRRRRRsFIFE 0.03
8 yyYpYFYIMRRRRRRsFIFE 0.03
9 yyYpYFYKMRRRRRRsFIFE 0.03
10 yyYyYFYIMRRRRRRsFIFR 0.06
11 yyYyYFYKMRRRRRRsFIFR 0.06
12 yyYyYFYRMRRRRRRsFIFR 0.06
13 yyYsYFYRMRRRRRRsFIFR 0.08
14 yyYyYFYRMSRRRRRsFIFE 0.08
15 yyYsYFYKMRRRRRRsFIFR 0.08
16 yyYyYFYKMSRRRRRsFIFE 0.08
17 yyYpYFYRMRRRRRRsFIFR 0.09
18 yyYsYFYIMRRRRRRsFIFR 0.09
19 yyYpYFYIMRRRRRRsFIFR 0.09
20 yyYpYFYKMRRRRRRsFIFR 0.09
21 yyYyYFYIMSRRRRRsFIFE 0.09
22 yyYyYFYRMRRRRRRsRIFE 0.1
23 yyYyYFYKMRRRRRRsRIFE 0.1
24 yyYyYFYIMRRRRRRsRIFE 0.1
25 yyYsYFYRMSRRRRRsFIFE 0.11
26 yyYsYFYIMSRRRRRsFIFE 0.11
27 yyYpYFYKMSRRRRRsFIFE 0.11
28 yyYpYFYRMSRRRRRsFIFE 0.11
29 yyYpYFYIMSRRRRRsFIFE 0.11
30 yyYsYFYKMSRRRRRsFIFE 0.11
31 yyYsYFYKMRRRRRRsRIFE 0.12
32 yyYsYFYRMRRRRRRsRIFE 0.12
33 yyYsYFYIMRRRRRRsRIFE 0.12
34 yyYpYFYRMRRRRRRsRIFE 0.13
35 yyYpYFYKMRRRRRRsRIFE 0.13
36 yyYpYFYIMRRRRRRsRIFE 0.13
37 yyYyYFYRMSRRRRRsFIFR 0.14
38 yyYyYFYKMSRRRRRsFIFR 0.14
39 yyYyYFYIMRRRRRRsWIFE 0.15
40 yyYyYFYRMRRRRRRsWIFE 0.15
41 yyYyYFYKMRRRRRRsWIFE 0.15
42 yyYyYFYIMSRRRRRsFIFR 0.15
43 yyYyYFYRMRRRRRRsRIFR 0.16
44 yyYyYFYKMRRRRRRsRIFR 0.16
45 yyYyYFYIMRRRRRRsRIFR 0.16
46 yyYsYFYRMSRRRRRsFIFR 0.17
47 yyYpYFYKMRRRRRRsWIFE 0.17
48 yyYsYFYIMSRRRRRsFIFR 0.17
49 yyYyYFYIyRRRRRRsFIFE 0.17
50 yyYyYFYRyRRRRRRsFIFE 0.17
51 yyYsYFYIMRRRRRRsWIFE 0.17
52 yyYpYFYKMSRRRRRsFIFR 0.17
53 yyYpYFYRMSRRRRRsFIFR 0.17
54 yyYsYFYKMRRRRRRsWIFE 0.17
55 yyYpYFYIMSRRRRRsFIFR 0.17
56 yyYsYFYKMSRRRRRsFIFR 0.17
57 yyYpYFYRMRRRRRRsWIFE 0.17
58 yyYyYFYKyRRRRRRsFIFE 0.17
59 yyYsYFYRMRRRRRRsWIFE 0.17
60 yyYsYFYKMRRRRRRsRIFR 0.18
61 yyYsYFYRMRRRRRRsRIFR 0.18
62 yyYyYFYKMSRRRRRsRIFE 0.18
63 yyYyYFYIMSRRRRRsRIFE 0.18
64 yyYpYFYIMRRRRRRsWIFE 0.18
65 yyYyYFYRMSRRRRRsRIFE 0.18
66 yyYsYFYIMRRRRRRsRIFR 0.18
67 yyYpYFYRMRRRRRRsRIFR 0.19
68 yyYpYFYKMRRRRRRsRIFR 0.19
69 yyYsYFYRyRRRRRRsFIFE 0.19
70 yyYsYFYKyRRRRRRsFIFE 0.19
71 yyYpYFYIMRRRRRRsRIFR 0.19
72 yyYsYFYIyRRRRRRsFIFE 0.19
73 yyYpYFYRyRRRRRRsFIFE 0.2
74 yyYsYFYKMSRRRRRsRIFE 0.2
75 yyYpYFYIyRRRRRRsFIFE 0.2
76 yyYsYFYRMSRRRRRsRIFE 0.2
77 yyYpYFYKyRRRRRRsFIFE 0.2
78 yyYyYFYIMRRRRRRsWIFR 0.21
79 yyYsYFYIMSRRRRRsRIFE 0.21
80 yyYyYFYRMRRRRRRsWIFR 0.21
81 yyYyYFYKMRRRRRRsWIFR 0.21
82 yyYpYFYIMSRRRRRsRIFE 0.21
83 yyYpYFYRMSRRRRRsRIFE 0.21
84 yyYpYFYKMSRRRRRsRIFE 0.21
85 yyYyYFYRMRHRRRRsFIFE 0.22
86 yyYyYFYKMRHRRRRsFIFE 0.22
87 yyYyYFYIMSRRRRRsWIFE 0.23
88 yyYpYFYKMRRRRRRsWIFR 0.23
89 yyYyYFYIyRRRRRRsFIFR 0.23
90 yyYsYFYIMRRRRRRsWIFR 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyYpYFYIMSRRRRRsFIFE

10.96

-40.35

-29.39
2 yyYyYFYIMSRRRRRsFIFE

8.16

-37.51

-29.35
3 yyYpYFYIMRRRRRRsFIFE

11.64

-40.27

-28.63
4 yyYyYFYRMRRRRRRsFIFE

14.94

-42.72

-27.78
5 yyYpYFYKMRRRRRRsFIFR

13.72

-39.05

-25.33
6 yyYyYFYKMRRRRRRsFIFR

13.56

-38.48

-24.92
7 yyYyYFYKMRRRRRRsRIFE

14.05

-38.63

-24.58
8 yyYsYFYKMRRRRRRsFIFR

13.68

-38.1

-24.42
9 yyYpYFYRMRRRRRRsFIFE

9.4

-33.46

-24.06
10 yyYyYFYIMRRRRRRsFIFR

10.74

-33.57

-22.83
11 yyYyYFYKMRRRRRRsFIFE

12.43

-34.41

-21.98
12 yyYsYFYRMRRRRRRsFIFE

10.96

-32.09

-21.13
13 yyYyYFYRMSRRRRRsFIFE

14.92

-35.63

-20.71
14 yyYpYFYKMRRRRRRsFIFE

13.28

-33.98

-20.7
15 yyYsYFYKMRRRRRRsFIFE

13.34

-33.83

-20.49
16 yyYpYFYIMRRRRRRsFIFR

17.52

-37.79

-20.27
17 yyYyYFYKMSRRRRRsFIFE

12.66

-32.82

-20.16
18 yyYyYFYIMRRRRRRsRIFE

16.01

-35.87

-19.86
19 yyYsYFYIMSRRRRRsFIFE

15.55

-35.26

-19.71
20 yyYsYFYRMSRRRRRsFIFE

12.99

-32.32

-19.33
21 yyYpYFYKMSRRRRRsFIFE

13.26

-31.96

-18.7
22 yyYsYFYKMSRRRRRsFIFE

16.27

-34.64

-18.37
23 yyYyYFYIMRRRRRRsFIFE

16.43

-34.79

-18.36
24 yyYsYFYIMRRRRRRsFIFE

15.55

-33.21

-17.66
25 yyYyYFYRMRRRRRRsRIFE

18.47

-36.0

-17.53
26 yyYpYFYRMRRRRRRsFIFR

14.31

-31.38

-17.07
27 yyYsYFYIMRRRRRRsFIFR

14.38

-30.83

-16.45
28 yyYyYFYRMRRRRRRsFIFR

15.53

-31.7

-16.17
29 yyYpYFYRMSRRRRRsFIFE

15.27

-31.34

-16.07
30 yyYsYFYRMRRRRRRsFIFR

17.97

-30.96

-12.99

 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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