Predicted ligand sequences


ADAN-name: 1IAL2.PDB (view again the scoring matrix)

PDB name: [1IAL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D E Q M L K R R N V S
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala 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 10.554 ΔGbinding -24.844
TOTAL
 -14.290
Backbone Hb -7.938 Cis_bond 0.000
Sidechain Hb -21.237 Torsional clash 2.427
Van der Waals -18.305 Backbone clash 0.824
Electrostatics -3.072 Helix dipole -0.180
Solvation Polar 29.030 Water bridges -0.474
Solvation Hyd -19.685 Disulfide 0.000
VdW clashes 2.491 Electrost. Kon -1.722
Entropy sc 7.226 Part.cov.bonds 0.000
Entropy mc

6.595

 ΔGstability

-44.735
       

Predicted ligand sequences for template [1IAL2.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).
 
  1IAL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yMDKKKMRNFW 0.0
2 TMDKKKMRNFW 0.05
3 yRDKKKMRNFW 0.11
4 yMDKRKMRNFW 0.12
5 yyDKKKMRNFW 0.13
6 TRDKKKMRNFW 0.16
7 TMDKRKMRNFW 0.18
8 TyDKKKMRNFW 0.18
9 yRDKRKMRNFW 0.23
10 yMDRKKMRNFW 0.23
11 yyDKRKMRNFW 0.25
12 TRDKRKMRNFW 0.29
13 TMDRKKMRNFW 0.29
14 TyDKRKMRNFW 0.3
15 yMDMKKMRNFW 0.35
16 yRDRKKMRNFW 0.35
17 yMDKKKMRNFM 0.36
18 yMDRRKMRNFW 0.36
19 yyDRKKMRNFW 0.36
20 TMDMKKMRNFW 0.4
21 TRDRKKMRNFW 0.4
22 TMDRRKMRNFW 0.41
23 TMDKKKMRNFM 0.41
24 TyDRKKMRNFW 0.42
25 yMDKKKMRNFF 0.44
26 yRDMKKMRNFW 0.46
27 KMDKKKMRNFW 0.46
28 yRDRRKMRNFW 0.47
29 yRDKKKMRNFM 0.47
30 yyDMKKMRNFW 0.47
31 yMDMRKMRNFW 0.47
32 yMDKRKMRNFM 0.48
33 yMRKKKMRNFW 0.49
34 yyDKKKMRNFM 0.49
35 yyDRRKMRNFW 0.49
36 TMDKKKMRNFF 0.49
37 TRDMKKMRNFW 0.51
38 TRDRRKMRNFW 0.52
39 TRDKKKMRNFM 0.52
40 TMDMRKMRNFW 0.52
41 TyDMKKMRNFW 0.53
42 TyDRRKMRNFW 0.54
43 TMDKRKMRNFM 0.54
44 TyDKKKMRNFM 0.54
45 yRDKKKMRNFF 0.55
46 TMRKKKMRNFW 0.55
47 yMDKRKMRNFF 0.56
48 yyDKKKMRNFF 0.56
49 KRDKKKMRNFW 0.57
50 KMDKRKMRNFW 0.58
51 yRDMRKMRNFW 0.58
52 yMDRKKMRNFM 0.59
53 KyDKKKMRNFW 0.59
54 yyDMRKMRNFW 0.6
55 yRRKKKMRNFW 0.6
56 yRDKRKMRNFM 0.6
57 TRDKKKMRNFF 0.6
58 yyDKRKMRNFM 0.61
59 TMDKRKMRNFF 0.61
60 yyRKKKMRNFW 0.62
61 yMRKRKMRNFW 0.62
62 TyDKKKMRNFF 0.62
63 TRDMRKMRNFW 0.63
64 TRDKRKMRNFM 0.65
65 TyDMRKMRNFW 0.65
66 TMDRKKMRNFM 0.65
67 TRRKKKMRNFW 0.66
68 yRDKRKMRNFF 0.67
69 yMDRKKMRNFF 0.67
70 TyDKRKMRNFM 0.67
71 TMRKRKMRNFW 0.67
72 TyRKKKMRNFW 0.68
73 KMDRKKMRNFW 0.69
74 yyDKRKMRNFF 0.69
75 KRDKRKMRNFW 0.7
76 yRDRKKMRNFM 0.71
77 yMDMKKMRNFM 0.71
78 KyDKRKMRNFW 0.71
79 TRDKRKMRNFF 0.72
80 yMDRRKMRNFM 0.72
81 TMDRKKMRNFF 0.72
82 yyDRKKMRNFM 0.72
83 yMRRKKMRNFW 0.73
84 yRRKRKMRNFW 0.73
85 TyDKRKMRNFF 0.74
86 yyRKRKMRNFW 0.75
87 TMDMKKMRNFM 0.76
88 TRDRKKMRNFM 0.76
89 TMDRRKMRNFM 0.77
90 yRDRKKMRNFF 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yMDKKKMRNFW

6.84

-30.23

-23.39
2 yMDKRKMRNFW

7.14

-29.87

-22.73
3 yMDMKKMRNFW

6.37

-28.97

-22.6
4 yyDMKKMRNFW

5.12

-27.62

-22.5
5 TRDRKKMRNFW

4.9

-27.0

-22.1
6 TyDKKKMRNFW

4.38

-26.37

-21.99
7 KMDKKKMRNFW

6.54

-28.52

-21.98
8 yRDRRKMRNFW

7.62

-29.14

-21.52
9 yyDKKKMRNFW

5.78

-27.11

-21.33
10 yRDKRKMRNFW

4.61

-25.8

-21.19
11 yyDRKKMRNFW

5.07

-25.82

-20.75
12 TRDKKKMRNFW

5.76

-26.25

-20.49
13 yRDRKKMRNFW

5.02

-25.41

-20.39
14 yMDKKKMRNFF

7.33

-27.61

-20.28
15 yyDKRKMRNFW

4.28

-24.14

-19.86
16 TyDKRKMRNFW

5.36

-24.34

-18.98
17 yMDKKKMRNFM

5.83

-24.68

-18.85
18 yMDRKKMRNFW

6.71

-25.46

-18.75
19 yMDRRKMRNFW

6.74

-25.46

-18.72
20 TMDMKKMRNFW

5.74

-24.15

-18.41
21 TMDKRKMRNFW

5.76

-24.16

-18.4
22 TMDRRKMRNFW

6.33

-24.41

-18.08
23 TMDKKKMRNFW

6.3

-24.31

-18.01
24 TyDRKKMRNFW

4.32

-22.28

-17.96
25 yRDMKKMRNFW

6.2

-23.8

-17.6
26 TRDKRKMRNFW

4.98

-22.29

-17.31
27 TMDRKKMRNFW

4.61

-21.26

-16.65
28 yRDKKKMRNFM

7.16

-23.78

-16.62
29 yRDKKKMRNFW

6.74

-23.27

-16.53
30 TMDKKKMRNFM

5.28

-21.38

-16.1

 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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