Predicted ligand sequences


ADAN-name: 1MW42.PDB (view again the scoring matrix)

PDB name: [1MW4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q P E y V N Q P D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
A
y
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    

(Help)

Intraclash 42.049 ΔGbinding 15.550
TOTAL
 57.599
Backbone Hb -0.830 Cis_bond 0.000
Sidechain Hb -2.490 Torsional clash 3.030
Van der Waals -10.030 Backbone clash 4.190
Electrostatics -3.300 Helix dipole -0.380
Solvation Polar 14.970 Water bridges -0.850
Solvation Hyd -11.090 Disulfide 0.000
VdW clashes 19.920 Electrost. Kon -2.650
Entropy sc 3.440 Part.cov.bonds 0.000
Entropy mc

5.800

 ΔGstability

264.500
       

Predicted ligand sequences for template [1MW42.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).
 
  1MW42.PDB  

(data)
# Predicted Sequences Value Calculate
1 sDGGGGGNyG 0.0
2 sDGGGGGGyG 0.01
3 EDGGGGGNyG 0.02
4 sDGGGGGQyG 0.03
5 EDGGGGGGyG 0.03
6 EDGGGGGQyG 0.05
7 pDGGGGGNyG 0.06
8 DDGGGGGNyG 0.06
9 sDGGGGGHyG 0.07
10 DDGGGGGGyG 0.07
11 pDGGGGGGyG 0.07
12 spGGGGGNyG 0.08
13 DDGGGGGQyG 0.09
14 pDGGGGGQyG 0.09
15 spGGGGGGyG 0.09
16 EDGGGGGHyG 0.09
17 EpGGGGGNyG 0.1
18 spGGGGGQyG 0.11
19 EpGGGGGGyG 0.11
20 EpGGGGGQyG 0.13
21 DDGGGGGHyG 0.13
22 pDGGGGGHyG 0.13
23 ppGGGGGNyG 0.14
24 DpGGGGGNyG 0.14
25 ppGGGGGGyG 0.15
26 DpGGGGGGyG 0.15
27 spGGGGGHyG 0.15
28 DpGGGGGQyG 0.17
29 sDGGGGGNsG 0.17
30 sDGGGGGNpG 0.17
31 EpGGGGGHyG 0.17
32 ppGGGGGQyG 0.17
33 sDGGGGGGsG 0.18
34 sDGGGGGGpG 0.18
35 EDGGGGGNpG 0.19
36 sDGGGGGNEG 0.19
37 EDGGGGGNsG 0.19
38 sDGGGGGQpG 0.2
39 sDGGGGGGEG 0.2
40 EDGGGGGGsG 0.2
41 EDGGGGGGpG 0.2
42 EDGGGGGNEG 0.2
43 sDGGGGGQsG 0.2
44 DpGGGGGHyG 0.21
45 ppGGGGGHyG 0.21
46 EDGGGGGGEG 0.22
47 EDGGGGGQsG 0.22
48 EDGGGGGQpG 0.22
49 sDGGGGGQEG 0.22
50 pDGGGGGNpG 0.23
51 DDGGGGGNsG 0.23
52 pDGGGGGNsG 0.23
53 DDGGGGGNpG 0.23
54 DDGGGGGGpG 0.24
55 sDGGGGGHpG 0.24
56 DDGGGGGGsG 0.24
57 EDGGGGGQEG 0.24
58 pDGGGGGGpG 0.24
59 sDGGGGGHsG 0.24
60 pDGGGGGGsG 0.24
61 spGGGGGNsG 0.25
62 spGGGGGNpG 0.25
63 DDGGGGGNEG 0.25
64 pDGGGGGNEG 0.25
65 sDGGGGGHEG 0.25
66 spGGGGGGsG 0.26
67 DDGGGGGGEG 0.26
68 pDGGGGGGEG 0.26
69 EDGGGGGHsG 0.26
70 pDGGGGGQpG 0.26
71 pDGGGGGQsG 0.26
72 DDGGGGGQpG 0.26
73 EDGGGGGHpG 0.26
74 sPGGGGGNyG 0.26
75 DDGGGGGQsG 0.26
76 spGGGGGGpG 0.26
77 spGGGGGNEG 0.27
78 EpGGGGGNsG 0.27
79 EDGGGGGHEG 0.27
80 EpGGGGGNpG 0.27
81 sAGGGGGNyG 0.27
82 spGGGGGQpG 0.28
83 EpGGGGGGpG 0.28
84 pDGGGGGQEG 0.28
85 DDGGGGGQEG 0.28
86 EPGGGGGNyG 0.28
87 spGGGGGGEG 0.28
88 EpGGGGGGsG 0.28
89 sAGGGGGGyG 0.28
90 sPGGGGGGyG 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 pDGGGGGQyG

8.6

2.87

11.47
2 pDGGGGGGyG

9.37

2.4

11.77
3 spGGGGGNyG

9.7

2.87

12.57
4 DpGGGGGGyG

9.63

2.95

12.58
5 EpGGGGGQyG

9.65

3.0

12.65
6 spGGGGGGyG

10.34

2.79

13.13
7 ppGGGGGGyG

10.65

3.11

13.76
8 sDGGGGGQyG

11.24

2.77

14.01
9 EDGGGGGNyG

11.42

2.64

14.06
10 EDGGGGGQyG

10.31

3.88

14.19
11 DDGGGGGNyG

11.75

2.64

14.39
12 sDGGGGGNsG

11.5

3.15

14.65
13 DpGGGGGQyG

12.41

2.76

15.17
14 ppGGGGGNyG

12.07

3.15

15.22
15 pDGGGGGHyG

11.76

3.5

15.26
16 sDGGGGGHyG

11.77

3.58

15.35
17 sDGGGGGNpG

12.34

3.15

15.49
18 sDGGGGGGyG

12.64

2.9

15.54
19 EDGGGGGGyG

11.86

3.84

15.7
20 EpGGGGGGyG

12.54

3.24

15.78
21 EpGGGGGNyG

12.78

3.15

15.93
22 DDGGGGGGyG

12.69

3.29

15.98
23 spGGGGGQyG

12.56

3.48

16.04
24 pDGGGGGNyG

12.67

3.43

16.1
25 EDGGGGGHyG

13.06

3.35

16.41
26 DDGGGGGQyG

13.29

3.21

16.5
27 spGGGGGHyG

12.47

4.06

16.53
28 sDGGGGGNyG

13.25

3.88

17.13
29 DpGGGGGNyG

13.85

3.55

17.4
30 DDGGGGGHyG

13.46

3.96

17.42

 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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