Predicted ligand sequences


ADAN-name: 1STC2.PDB (view again the scoring matrix)

PDB name: [1STC.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
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
A
A
 A
A
 A A
A
A
A
G
A
 A G
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 6.160 ΔGbinding -23.958
TOTAL
 -17.798
Backbone Hb -2.663 Cis_bond 0.000
Sidechain Hb -11.675 Torsional clash 0.812
Van der Waals -12.912 Backbone clash 0.490
Electrostatics -11.331 Helix dipole 0.088
Solvation Polar 20.460 Water bridges -1.239
Solvation Hyd -14.625 Disulfide 0.000
VdW clashes 1.267 Electrost. Kon -4.253
Entropy sc 8.651 Part.cov.bonds 0.000
Entropy mc

3.461

 ΔGstability

87.006
       

Predicted ligand sequences for template [1STC2.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).
 
  1STC2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWMDYFySGGRyGRRRR 0.0
2 DWMDYFySGGRyGRRsR 0.02
3 DWYDYFySGGRyGRRRR 0.02
4 DWMDYMySGGRyGRRRR 0.03
5 DWYDYFySGGRyGRRsR 0.04
6 EWMDYFySGGRyGRRRR 0.04
7 DWYDYMySGGRyGRRRR 0.05
8 DWMDYFySGGRyGRRKR 0.05
9 EWMDYFySGGRyGRRsR 0.05
10 DWMDYFESGGRyGRRRR 0.05
11 EWYDYFySGGRyGRRRR 0.05
12 DWMDYMySGGRyGRRsR 0.05
13 DWMDYFyHGGRyGRRRR 0.05
14 DWMpYFySGGRyGRRRR 0.06
15 EWMDYMySGGRyGRRRR 0.06
16 DWYDYMySGGRyGRRsR 0.07
17 DWYDYFESGGRyGRRRR 0.07
18 DWYDYFyHGGRyGRRRR 0.07
19 DWYDYFySGGRyGRRKR 0.07
20 DWMDYFESGGRyGRRsR 0.07
21 EWYDYFySGGRyGRRsR 0.07
22 DWMDYFyHGGRyGRRsR 0.07
23 DWMDYFyFGGRyGRRRR 0.07
24 DWMDYFMSGGRyGRRRR 0.07
25 DWYpYFySGGRyGRRRR 0.08
26 DWMpYFySGGRyGRRsR 0.08
27 EWYDYMySGGRyGRRRR 0.08
28 DWMDYMESGGRyGRRRR 0.08
29 EWMDYMySGGRyGRRsR 0.08
30 DWMDYMyHGGRyGRRRR 0.08
31 DWMDYMySGGRyGRRKR 0.08
32 sWMDYFySGGRyGRRRR 0.08
33 DWYDYFMSGGRyGRRRR 0.09
34 DWMpYMySGGRyGRRRR 0.09
35 EWMDYFySGGRyGRRKR 0.09
36 DWYDYFyHGGRyGRRsR 0.09
37 EWMDYFyHGGRyGRRRR 0.09
38 DWMDYFMSGGRyGRRsR 0.09
39 DWMDYFyFGGRyGRRsR 0.09
40 DWYDYFyFGGRyGRRRR 0.09
41 EWMDYFESGGRyGRRRR 0.09
42 DWYDYFESGGRyGRRsR 0.09
43 sWYDYFySGGRyGRRRR 0.1
44 EWMDYFMSGGRyGRRRR 0.1
45 DWYDYFMSGGRyGRRsR 0.1
46 DWYpYFySGGRyGRRsR 0.1
47 DWMDYMyFGGRyGRRRR 0.1
48 DWMDYMESGGRyGRRsR 0.1
49 DWMDYFyHGGRyGRRKR 0.1
50 DWYDYMySGGRyGRRKR 0.1
51 DWMDYMMSGGRyGRRRR 0.1
52 EWMpYFySGGRyGRRRR 0.1
53 DWYDYMESGGRyGRRRR 0.1
54 DWMsYFySGGRyGRRRR 0.1
55 DWYDYMyHGGRyGRRRR 0.1
56 sWMDYFySGGRyGRRsR 0.1
57 DWMDYMyHGGRyGRRsR 0.1
58 EWYDYMySGGRyGRRsR 0.1
59 DWWDYFySGGRyGRRRR 0.11
60 DWMDYFEHGGRyGRRRR 0.11
61 DWYpYMySGGRyGRRRR 0.11
62 DWMpYFyHGGRyGRRRR 0.11
63 EWYDYFySGGRyGRRKR 0.11
64 EWMDYMySGGRyGRRKR 0.11
65 EWYDYFESGGRyGRRRR 0.11
66 EWMDYMyHGGRyGRRRR 0.11
67 DWMDYMMSGGRyGRRsR 0.11
68 EWMpYFySGGRyGRRsR 0.11
69 EWYDYFyHGGRyGRRRR 0.11
70 DWMDYFESGGRyGRRKR 0.11
71 EWMDYFyHGGRyGRRsR 0.11
72 DWMpYFESGGRyGRRRR 0.11
73 sWMDYMySGGRyGRRRR 0.11
74 EWMDYFESGGRyGRRsR 0.11
75 EWMDYFyFGGRyGRRRR 0.11
76 DWMsYFySGGRyGRRsR 0.11
77 DWYDYFyFGGRyGRRsR 0.11
78 DWYDYMMSGGRyGRRRR 0.11
79 EWYpYFySGGRyGRRRR 0.11
80 DWMpYMySGGRyGRRsR 0.11
81 DWMpYFySGGRyGRRKR 0.11
82 EWMDYFMSGGRyGRRsR 0.12
83 DWMDYFEHGGRyGRRsR 0.12
84 DWYDYFEHGGRyGRRRR 0.12
85 DWWDYFySGGRyGRRsR 0.12
86 DWYDYFESGGRyGRRKR 0.12
87 DWYDYMyFGGRyGRRRR 0.12
88 DWMDYMyFGGRyGRRsR 0.12
89 EWMDYMESGGRyGRRRR 0.12
90 DWYDYMESGGRyGRRsR 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DWMDYFySGGRyGRRsR

5.43

-27.74

-22.31
2 EWYDYFySGGRyGRRsR

5.06

-26.03

-20.97
3 EWMDYMySGGRyGRRRR

4.66

-23.82

-19.16
4 DWMDYMyHGGRyGRRRR

6.45

-25.52

-19.07
5 DWYDYFySGGRyGRRsR

6.45

-25.45

-19.0
6 EWYDYFySGGRyGRRRR

6.63

-25.39

-18.76
7 DWMDYFESGGRyGRRsR

7.22

-25.96

-18.74
8 DWMDYFySGGRyGRRKR

6.69

-25.18

-18.49
9 DWMDYMySGGRyGRRRR

7.56

-25.86

-18.3
10 DWMDYFyFGGRyGRRRR

7.33

-25.45

-18.12
11 EWYDYMySGGRyGRRRR

7.4

-25.01

-17.61
12 DWYDYMySGGRyGRRsR

5.17

-22.59

-17.42
13 DWMDYFyHGGRyGRRRR

4.44

-21.3

-16.86
14 DWMpYFySGGRyGRRsR

6.69

-23.43

-16.74
15 DWMDYFMSGGRyGRRRR

5.99

-22.26

-16.27
16 DWYDYFySGGRyGRRKR

5.75

-21.33

-15.58
17 EWMDYMySGGRyGRRsR

6.68

-22.19

-15.51
18 DWMDYFyHGGRyGRRsR

6.79

-21.78

-14.99
19 DWMDYMESGGRyGRRRR

7.69

-22.27

-14.58
20 DWMDYFESGGRyGRRRR

6.47

-20.45

-13.98
21 DWYDYMySGGRyGRRRR

6.76

-20.59

-13.83
22 DWYDYFySGGRyGRRRR

8.0

-20.73

-12.73
23 DWYDYFESGGRyGRRRR

8.56

-21.11

-12.55
24 EWMDYFySGGRyGRRsR

7.33

-18.77

-11.44
25 DWMDYFySGGRyGRRRR

7.16

-18.44

-11.28
26 DWMpYFySGGRyGRRRR

9.16

-15.52

-6.36
27 DWMDYMySGGRyGRRsR

6.67

-11.45

-4.78
28 DWYDYFyHGGRyGRRRR

4.8

-6.98

-2.18
29 EWMDYFySGGRyGRRRR

6.85

-7.05

-0.2
30 DWYpYFySGGRyGRRRR

15.3

2.05

17.35

 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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