Predicted ligand sequences


ADAN-name: 1IB12.PDB (view again the scoring matrix)

PDB name: [1IB1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S G I P G S P G R Q R R H p L P A N E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala A G
A
A
G
A
A
G
 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 6.792 ΔGbinding -20.240
TOTAL
 -13.448
Backbone Hb -2.950 Cis_bond 0.000
Sidechain Hb -10.470 Torsional clash 0.510
Van der Waals -13.310 Backbone clash 0.940
Electrostatics -3.940 Helix dipole 0.000
Solvation Polar 18.650 Water bridges -1.920
Solvation Hyd -16.650 Disulfide 0.000
VdW clashes 0.160 Electrost. Kon -2.060
Entropy sc 8.660 Part.cov.bonds 0.000
Entropy mc

3.080

 ΔGstability

-32.660
       

Predicted ligand sequences for template [1IB12.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).
 
  1IB12.PDB  

(data)
# Predicted Sequences Value Calculate
1 KFRyGRsKRRyMYEMFCNL 0.0
2 KFRyGRsKRRyMYEMFPNL 0.0
3 KFKyGRsKRRyMYEMFCNL 0.01
4 KFRyGRsHRRyMYEMFPNL 0.01
5 KFRyGRsHRRyMYEMFCNL 0.01
6 KFRyGRDKRRyMYEMFPNL 0.02
7 KFRyGRDKRRyMYEMFCNL 0.02
8 KFRyGKsKRRyMYEMFPNL 0.02
9 KFKyGRsHRRyMYEMFCNL 0.02
10 KFRyGKsKRRyMYEMFCNL 0.02
11 KFKyGRsKRRyMYEMFPNL 0.02
12 KFRyGREKRRyMYEMFCNL 0.02
13 KFRyGREKRRyMYEMFPNL 0.02
14 KFHyGRsKRRyMYEMFCNL 0.03
15 KFRyGKsHRRyMYEMFPNL 0.03
16 KFRyGRsARRyMYEMFPNL 0.03
17 KFRyGKsHRRyMYEMFCNL 0.03
18 KFRyGRsKRRyMYEMWCNL 0.03
19 KFHyGRsKRRyMYEMFPNL 0.03
20 KFKyGKsKRRyMYEMFCNL 0.03
21 KFRyGREHRRyMYEMFPNL 0.03
22 KFRyGRDHRRyMYEMFCNL 0.03
23 KFRyGRDHRRyMYEMFPNL 0.03
24 KFRyGREHRRyMYEMFCNL 0.03
25 KFKyGREKRRyMYEMFCNL 0.03
26 KFRyGRsARRyMYEMFCNL 0.03
27 KFKyGRsHRRyMYEMFPNL 0.03
28 KFKyGRDKRRyMYEMFCNL 0.03
29 KFKyGRDHRRyMYEMFCNL 0.04
30 KFKyGREKRRyMYEMFPNL 0.04
31 KFKyGKsHRRyMYEMFCNL 0.04
32 KFKyGRDKRRyMYEMFPNL 0.04
33 KFRyGRsKRRyMYEMWPNL 0.04
34 KFKyGKsKRRyMYEMFPNL 0.04
35 KFRyGKDKRRyMYEMFPNL 0.04
36 KFRyGRsHRRyMYEMWCNL 0.04
37 KFHyGRsHRRyMYEMFCNL 0.04
38 KFRyGKEKRRyMYEMFPNL 0.04
39 KFHyGRsHRRyMYEMFPNL 0.04
40 KFRyGKEKRRyMYEMFCNL 0.04
41 KFRyGKDKRRyMYEMFCNL 0.04
42 KFKyGREHRRyMYEMFCNL 0.04
43 KFKyGRsARRyMYEMFCNL 0.04
44 KFRyGREARRyMYEMFCNL 0.05
45 KFRyGKsARRyMYEMFPNL 0.05
46 KFRyGKEHRRyMYEMFPNL 0.05
47 KFRyGKsARRyMYEMFCNL 0.05
48 KFRyGRDARRyMYEMFCNL 0.05
49 KFRyGRsHRRyMYEMWPNL 0.05
50 KFKyGRDHRRyMYEMFPNL 0.05
51 KFRyGKDHRRyMYEMFCNL 0.05
52 KFRyGREARRyMYEMFPNL 0.05
53 KFKyGRsKRRyMYEMWPNL 0.05
54 KFKyGKEKRRyMYEMFCNL 0.05
55 KFRyGREKRRyMYEMWCNL 0.05
56 KFKyGREHRRyMYEMFPNL 0.05
57 KFKyGKDKRRyMYEMFCNL 0.05
58 KFKyGKsHRRyMYEMFPNL 0.05
59 KFRyGRDARRyMYEMFPNL 0.05
60 KFKyGRsKRRyMYEMWCNL 0.05
61 KFHyGREKRRyMYEMFPNL 0.05
62 KFRyGRDKRRyMYEMWCNL 0.05
63 KFRyGKEHRRyMYEMFCNL 0.05
64 KFHyGRDKRRyMYEMFPNL 0.05
65 KFKyGRsARRyMYEMFPNL 0.05
66 KFRyGKDHRRyMYEMFPNL 0.05
67 KFRyGKsKRRyMYEMWCNL 0.05
68 KFHyGKsKRRyMYEMFCNL 0.05
69 KFHyGKsKRRyMYEMFPNL 0.05
70 KFHyGRDKRRyMYEMFCNL 0.05
71 KFHyGREKRRyMYEMFCNL 0.05
72 KFRyGRDHRRyMYEMWCNL 0.06
73 KFKyGKsARRyMYEMFCNL 0.06
74 KFHyGREHRRyMYEMFPNL 0.06
75 KFKyGREARRyMYEMFCNL 0.06
76 KFHyGREHRRyMYEMFCNL 0.06
77 KFRyGRsARRyMYEMWCNL 0.06
78 KFKyGKEHRRyMYEMFCNL 0.06
79 KFHyGRsARRyMYEMFCNL 0.06
80 KFHyGRsKRRyMYEMWCNL 0.06
81 KFRyGREKRRyMYEMWPNL 0.06
82 KFKyGKDKRRyMYEMFPNL 0.06
83 KFRyGKsHRRyMYEMWCNL 0.06
84 KFHyGKsHRRyMYEMFCNL 0.06
85 KFKyGKEKRRyMYEMFPNL 0.06
86 KFHyGKsHRRyMYEMFPNL 0.06
87 KFKyGRDARRyMYEMFCNL 0.06
88 KMRyGRsKRRyMYEMFCNL 0.06
89 KMRyGRsKRRyMYEMFPNL 0.06
90 KFKyGRsHRRyMYEMWPNL 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KFRyGREHRRyMYEMFCNL

7.69

-28.54

-20.85
2 KFKyGRsKRRyMYEMFPNL

7.49

-28.29

-20.8
3 KFRyGREKRRyMYEMFCNL

8.03

-28.66

-20.63
4 KFRyGRsARRyMYEMFPNL

7.46

-28.01

-20.55
5 KFRyGRsHRRyMYEMFCNL

7.7

-28.0

-20.3
6 KFRyGRsHRRyMYEMFPNL

8.29

-28.56

-20.27
7 KFRyGKsKRRyMYEMFPNL

6.66

-26.74

-20.08
8 KFKyGRDKRRyMYEMFCNL

8.04

-28.02

-19.98
9 KFRyGRDHRRyMYEMFPNL

8.06

-27.89

-19.83
10 KFRyGKsHRRyMYEMFPNL

8.03

-27.75

-19.72
11 KFRyGREHRRyMYEMFPNL

8.11

-27.8

-19.69
12 KFRyGRDHRRyMYEMFCNL

8.23

-27.85

-19.62
13 KFRyGRsKRRyMYEMFPNL

7.43

-26.91

-19.48
14 KFRyGREKRRyMYEMFPNL

7.78

-27.08

-19.3
15 KFKyGREKRRyMYEMFPNL

7.49

-26.64

-19.15
16 KFRyGRsARRyMYEMFCNL

8.43

-27.57

-19.14
17 KFRyGKsHRRyMYEMFCNL

8.08

-27.14

-19.06
18 KFRyGRsKRRyMYEMFCNL

7.8

-26.78

-18.98
19 KFKyGRsHRRyMYEMFCNL

7.93

-26.87

-18.94
20 KFHyGRsKRRyMYEMFCNL

8.02

-26.75

-18.73
21 KFKyGRsKRRyMYEMFCNL

7.66

-26.33

-18.67
22 KFKyGKsKRRyMYEMFCNL

7.62

-26.05

-18.43
23 KFKyGREKRRyMYEMFCNL

8.38

-26.49

-18.11
24 KFKyGRDHRRyMYEMFCNL

8.21

-26.24

-18.03
25 KFRyGKsKRRyMYEMFCNL

8.53

-26.38

-17.85
26 KFRyGRDKRRyMYEMFPNL

8.39

-26.2

-17.81
27 KFKyGRsHRRyMYEMFPNL

7.36

-24.82

-17.46
28 KFHyGRsKRRyMYEMFPNL

8.45

-25.88

-17.43
29 KFRyGRsKRRyMYEMWCNL

9.02

-26.2

-17.18
30 KFRyGRDKRRyMYEMFCNL

8.2

-23.92

-15.72

 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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