Predicted ligand sequences


ADAN-name: 1YDT2.PDB (view again the scoring matrix)

PDB name: [1YDT.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 6.080 ΔGbinding -28.697
TOTAL
 -22.617
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -8.300 Torsional clash 2.470
Van der Waals -17.748 Backbone clash 0.316
Electrostatics -14.888 Helix dipole 0.132
Solvation Polar 26.397 Water bridges -0.918
Solvation Hyd -20.842 Disulfide 0.000
VdW clashes 1.620 Electrost. Kon -5.728
Entropy sc 7.579 Part.cov.bonds 0.000
Entropy mc

6.354

 ΔGstability

35.202
       

Predicted ligand sequences for template [1YDT2.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).
 
  1YDT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yRRGWFRQGRRNGKRsRFRF 0.0
2 SRRGWFRQGRRNGKRsRFRF 0.0
3 SRRGWFRQSRRNGKRsRFRF 0.0
4 yRRGWFRQSRRNGKRsRFRF 0.01
5 DRRGWFRQSRRNGKRsRFRF 0.01
6 DRRGWFRQGRRNGKRsRFRF 0.01
7 SRRGWFRGGRRNGKRsRFRF 0.02
8 SRRGWFRGSRRNGKRsRFRF 0.03
9 yRRGWFRGSRRNGKRsRFRF 0.03
10 yRRGWFRGGRRNGKRsRFRF 0.03
11 DRRGWFRGGRRNGKRsRFRF 0.04
12 DRRGWFRGSRRNGKRsRFRF 0.04
13 SRRGWFRTSRRNGKRsRFRF 0.05
14 yRRGWFRTGRRNGKRsRFRF 0.05
15 yRRGWFRTSRRNGKRsRFRF 0.05
16 SRRGWFRTGRRNGKRsRFRF 0.05
17 DRRGWFRTGRRNGKRsRFRF 0.06
18 DRRGWFRTSRRNGKRsRFRF 0.06
19 SRRGWFRQSRRNRKRsRFRF 0.07
20 SRRGWFRQGRRNRKRsRFRF 0.07
21 yRRGWFRQSRRNRKRsRFRF 0.08
22 yRRGWFRQGRRNRKRsRFRF 0.08
23 yRRGWFRQGRRNGKRsRFRM 0.09
24 SRRGWFRQGRRNGKRsRFRM 0.09
25 SRRsWFRQSRRNGKRsRFRF 0.09
26 SRRsWFRQGRRNGKRsRFRF 0.09
27 SRRGWFRQSRRNGKRsRFRM 0.09
28 DRRGWFRQSRRNRKRsRFRF 0.09
29 SRRDWFRQSRRNGKRsRFRF 0.09
30 SRRDWFRQGRRNGKRsRFRF 0.09
31 yRRsWFRQGRRNGKRsRFRF 0.09
32 DRRGWFRQGRRNRKRsRFRF 0.09
33 yRRGWFRQSRRNGKRsRFRM 0.1
34 yRRsWFRQSRRNGKRsRFRF 0.1
35 yRRDWFRQSRRNGKRsRFRF 0.1
36 yRRDWFRQGRRNGKRsRFRF 0.1
37 SRRGWFRGSRRNRKRsRFRF 0.1
38 yRFGWFRQSRRNGKRsRFRF 0.1
39 yRRGWFRGSRRNRKRsRFRF 0.1
40 SRFGWFRQSRRNGKRsRFRF 0.1
41 DRRGWFRQGRRNGKRsRFRM 0.1
42 yRRGWFRGGRRNRKRsRFRF 0.1
43 yRFGWFRQGRRNGKRsRFRF 0.1
44 SRRGWFRGGRRNRKRsRFRF 0.1
45 SRFGWFRQGRRNGKRsRFRF 0.1
46 yRYGWFRQGRRNGKRsRFRF 0.1
47 SRYGWFRQGRRNGKRsRFRF 0.1
48 SRYGWFRQSRRNGKRsRFRF 0.1
49 DRRsWFRQGRRNGKRsRFRF 0.1
50 yRYGWFRQSRRNGKRsRFRF 0.1
51 DRRGWFRGGRRNRKRsRFRF 0.11
52 yRRGWFRQGRRNGKRsRFRL 0.11
53 DRRsWFRQSRRNGKRsRFRF 0.11
54 SRRGWFRQCRRNGKRsRFRF 0.11
55 DRRDWFRQGRRNGKRsRFRF 0.11
56 DRRDWFRQSRRNGKRsRFRF 0.11
57 yRRGWFRQSRRNGKRsRFRL 0.11
58 SRRGWFRQGRRNGKRsRFRL 0.11
59 DRYGWFRQSRRNGKRsRFRF 0.11
60 yRRGWFRQCRRNGKRsRFRF 0.11
61 DRRGWFRQSRRNGKRsRFRM 0.11
62 SRRGWFRGGRRNGKRsRFRM 0.11
63 SRRsWFRGGRRNGKRsRFRF 0.11
64 DRRGWFRGSRRNRKRsRFRF 0.11
65 DRFGWFRQGRRNGKRsRFRF 0.11
66 SRRGWFRQSRRNGKRsRFRL 0.11
67 DRFGWFRQSRRNGKRsRFRF 0.11
68 SRRDWFRGGRRNGKRsRFRF 0.11
69 DRYGWFRQGRRNGKRsRFRF 0.11
70 SRRGWFRGSRRNGKRsRFRM 0.12
71 yRRDWFRGSRRNGKRsRFRF 0.12
72 yRFGWFRGSRRNGKRsRFRF 0.12
73 SRRDWFRGSRRNGKRsRFRF 0.12
74 yRRGWFRGSRRNGKRsRFRM 0.12
75 SRFGWFRGSRRNGKRsRFRF 0.12
76 DRRGWFRQSRRNGKRsRFRL 0.12
77 DRRGWFRQCRRNGKRsRFRF 0.12
78 DRRGWFRQGRRNGKRsRFRL 0.12
79 SRRGWFRTGRRNRKRsRFRF 0.12
80 yRRsWFRGSRRNGKRsRFRF 0.12
81 yRRsWFRGGRRNGKRsRFRF 0.12
82 SRFGWFRGGRRNGKRsRFRF 0.12
83 yRRGWFRTGRRNRKRsRFRF 0.12
84 yRYGWFRGGRRNGKRsRFRF 0.12
85 yRRGWFRGGRRNGKRsRFRM 0.12
86 yRFGWFRGGRRNGKRsRFRF 0.12
87 SRRsWFRGSRRNGKRsRFRF 0.12
88 SRRGWFRTSRRNRKRsRFRF 0.12
89 SRYGWFRGGRRNGKRsRFRF 0.12
90 SRYGWFRGSRRNGKRsRFRF 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SRRsWFRQSRRNGKRsRFRF

6.88

-42.42

-35.54
2 yRRGWFRGGRRNGKRsRFRF

7.48

-41.08

-33.6
3 yRRGWFRTGRRNGKRsRFRF

7.36

-40.76

-33.4
4 SRRGWFRQSRRNGKRsRFRM

7.39

-40.34

-32.95
5 yRRGWFRQGRRNGKRsRFRM

6.76

-39.37

-32.61
6 SRRGWFRTGRRNGKRsRFRF

6.92

-39.48

-32.56
7 DRRGWFRQSRRNGKRsRFRF

7.55

-40.08

-32.53
8 SRRGWFRTSRRNGKRsRFRF

9.35

-41.82

-32.47
9 DRRGWFRTSRRNGKRsRFRF

7.21

-39.55

-32.34
10 yRRGWFRTSRRNGKRsRFRF

7.03

-39.36

-32.33
11 SRRGWFRQSRRNRKRsRFRF

7.86

-40.16

-32.3
12 SRRGWFRQSRRNGKRsRFRF

6.48

-38.54

-32.06
13 SRRGWFRGGRRNGKRsRFRF

6.71

-38.68

-31.97
14 DRRGWFRTGRRNGKRsRFRF

7.09

-38.92

-31.83
15 yRRGWFRQSRRNRKRsRFRF

7.3

-39.08

-31.78
16 SRRsWFRQGRRNGKRsRFRF

7.15

-38.54

-31.39
17 DRRGWFRGGRRNGKRsRFRF

8.88

-39.97

-31.09
18 SRRGWFRQGRRNGKRsRFRF

6.48

-37.56

-31.08
19 yRRGWFRQGRRNRKRsRFRF

7.28

-38.24

-30.96
20 yRRGWFRQGRRNGKRsRFRF

6.71

-37.51

-30.8
21 DRRGWFRQSRRNRKRsRFRF

7.59

-38.22

-30.63
22 yRRGWFRGSRRNGKRsRFRF

10.24

-40.49

-30.25
23 DRRGWFRGSRRNGKRsRFRF

6.7

-36.56

-29.86
24 DRRGWFRQGRRNGKRsRFRF

9.24

-38.66

-29.42
25 SRRDWFRQSRRNGKRsRFRF

7.29

-36.69

-29.4
26 yRRGWFRQSRRNGKRsRFRF

7.74

-36.97

-29.23
27 SRRGWFRQGRRNRKRsRFRF

9.83

-39.0

-29.17
28 SRRGWFRQGRRNGKRsRFRM

8.03

-37.18

-29.15
29 SRRGWFRGSRRNGKRsRFRF

9.76

-38.68

-28.92
30 SRRDWFRQGRRNGKRsRFRF

9.76

-36.43

-26.67

 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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