Predicted ligand sequences


ADAN-name: 1AD52.PDB (view again the scoring matrix)

PDB name: [1AD5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S K P Q K P W E K D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 1.422 ΔGbinding -9.430
TOTAL
 -8.008
Backbone Hb -0.660 Cis_bond 0.000
Sidechain Hb -0.680 Torsional clash 0.020
Van der Waals -6.680 Backbone clash 0.170
Electrostatics -1.000 Helix dipole 0.000
Solvation Polar 5.840 Water bridges -0.910
Solvation Hyd -9.320 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon -1.020
Entropy sc 2.860 Part.cov.bonds 0.000
Entropy mc

2.050

 ΔGstability

7.810
       

Predicted ligand sequences for template [1AD52.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).
 
  1AD52.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPHFPDMWK 0.0
2 RRPHFPDMWK 0.0
3 KRPHFPDMWH 0.02
4 CRPHFPDMWK 0.02
5 RRPHFPDMWH 0.02
6 KRPHFPHMWK 0.04
7 KRPRFPDMWK 0.04
8 RRPRFPDMWK 0.04
9 CRPHFPDMWH 0.04
10 RRPHFPHMWK 0.04
11 RRPHFPDMMK 0.05
12 KRPHFPDMMK 0.05
13 KRPHFPHMWH 0.06
14 KRPRFPDMWH 0.06
15 RRPRFPDMWH 0.06
16 CRPRFPDMWK 0.06
17 CRPHFPHMWK 0.06
18 RRPHFPHMWH 0.06
19 RRPWFPDMWK 0.07
20 KRPWFPDMWK 0.07
21 CRPHFPDMMK 0.07
22 RRPHFPDMMH 0.07
23 KRPHFPDMMH 0.07
24 RRPRFPHMWK 0.08
25 CRPRFPDMWH 0.08
26 KRPRFPHMWK 0.08
27 CRPHFPHMWH 0.08
28 CRPWFPDMWK 0.09
29 RRPWFPDMWH 0.09
30 KRPWFPDMWH 0.09
31 RRPRFPDMMK 0.09
32 CRPHFPDMMH 0.09
33 RRPHFPHMMK 0.09
34 KRPHFPHMMK 0.09
35 KRPRFPDMMK 0.09
36 RRPRFPHMWH 0.1
37 CRPRFPHMWK 0.1
38 KRPRFPHMWH 0.1
39 CRPWFPDMWH 0.11
40 CRPHFPHMMK 0.11
41 RRPRFPDMMH 0.11
42 RRPWFPHMWK 0.11
43 RRPHFPHMMH 0.11
44 KRPRFPDMMH 0.11
45 CRPRFPDMMK 0.11
46 KRPWFPHMWK 0.11
47 KRPHFPHMMH 0.11
48 RRPWFPDMMK 0.12
49 KRPHFPDMWC 0.12
50 CRPRFPHMWH 0.12
51 KRPWFPDMMK 0.12
52 RRPHFPDMWC 0.12
53 KRPRFPHMMK 0.13
54 CRPHFPHMMH 0.13
55 RRPWFPHMWH 0.13
56 CRPRFPDMMH 0.13
57 KRPWFPHMWH 0.13
58 CRPWFPHMWK 0.13
59 RRPRFPHMMK 0.13
60 CRPWFPDMMK 0.14
61 RRPWFPDMMH 0.14
62 KRPWFPDMMH 0.14
63 CRPHFPDMWC 0.14
64 KRPRFPHMMH 0.15
65 CRPRFPHMMK 0.15
66 CRPWFPHMWH 0.15
67 RRPRFPHMMH 0.15
68 CRPWFPDMMH 0.16
69 KRPHFPHMWC 0.16
70 KRPRFPDMWC 0.16
71 RRPRFPDMWC 0.16
72 KRPWFPHMMK 0.16
73 RRPWFPHMMK 0.16
74 RRPHFPHMWC 0.16
75 KRPHFPDWWK 0.17
76 CRPRFPHMMH 0.17
77 RRPHFPDMMC 0.17
78 RRPHFPDWWK 0.17
79 KRPHFPDMMC 0.17
80 CRPWFPHMMK 0.18
81 CRPRFPDMWC 0.18
82 KRPWFPHMMH 0.18
83 CRPHFPHMWC 0.18
84 RRPWFPHMMH 0.18
85 KRPHFPDWWH 0.19
86 KRPHRPDMWK 0.19
87 RRPWFPDMWC 0.19
88 CRPHFPDMMC 0.19
89 KRPWFPDMWC 0.19
90 RRPHRPDMWK 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRPHFPDMMH

1.5

-15.22

-13.72
2 KRPHFPDMMK

1.72

-14.47

-12.75
3 RRPHFPDMMH

1.51

-13.82

-12.31
4 RRPHFPDMMK

2.82

-14.87

-12.05
5 CRPHFPDMMK

2.45

-14.33

-11.88
6 KRPHFPDMWH

1.63

-12.89

-11.26
7 CRPHFPHMWH

1.57

-12.57

-11.0
8 RRPRFPDMWH

1.79

-12.76

-10.97
9 KRPRFPDMWH

1.87

-12.8

-10.93
10 KRPWFPDMWH

2.15

-12.97

-10.82
11 KRPRFPDMWK

2.39

-13.12

-10.73
12 RRPHFPDMWH

1.99

-12.66

-10.67
13 CRPWFPDMWK

1.61

-12.27

-10.66
14 KRPHFPHMWH

1.57

-12.19

-10.62
15 KRPRFPHMWK

1.73

-12.15

-10.42
16 RRPWFPDMWK

2.53

-12.87

-10.34
17 RRPRFPDMWK

1.67

-11.91

-10.24
18 CRPHFPHMWK

1.45

-11.67

-10.22
19 CRPHFPDMWH

3.07

-13.02

-9.95
20 KRPWFPDMWK

2.61

-12.53

-9.92
21 CRPRFPDMWH

2.04

-11.75

-9.71
22 RRPHFPDMWK

2.46

-12.17

-9.71
23 CRPRFPDMWK

1.97

-11.67

-9.7
24 KRPHFPDMWK

2.65

-12.32

-9.67
25 RRPHFPHMWH

2.12

-11.79

-9.67
26 CRPHFPDMWK

2.79

-12.31

-9.52
27 KRPHFPHMWK

2.67

-12.17

-9.5
28 RRPWFPDMWH

2.02

-11.35

-9.33
29 RRPHFPHMWK

1.8

-10.96

-9.16
30 RRPRFPHMWK

3.06

-11.85

-8.79

 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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