Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1SEM-17.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
 A
A
A
 A
G
 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 1.975 ΔGbinding 1.475
TOTAL
 3.450
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.145
Van der Waals -4.910 Backbone clash 0.096
Electrostatics 0.265 Helix dipole 0.000
Solvation Polar 5.161 Water bridges 0.001
Solvation Hyd -7.049 Disulfide 0.000
VdW clashes 3.939 Electrost. Kon 0.415
Entropy sc 0.555 Part.cov.bonds 0.000
Entropy mc

4.229

 ΔGstability

36.763
       

Predicted ligand sequences for model [HSE1_1SEM-17.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).
 
  HSE1_1SEM-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YNKMRGMSR 0.0
2 YNFMRGMSR 0.01
3 YNYMRGMSR 0.03
4 YNKMHGMSR 0.03
5 YNFMHGMSR 0.04
6 YNYMHGMSR 0.06
7 YNKMRGMSM 0.06
8 YNFMRGMSM 0.07
9 YNYMRGMSM 0.09
10 YNKMHGMSM 0.09
11 YNFMHGMSM 0.1
12 YNYMHGMSM 0.12
13 YVKMRGMSR 0.12
14 YNKMRGMSF 0.12
15 YVFMRGMSR 0.13
16 YNFMRGMSF 0.13
17 YVKMHGMSR 0.14
18 YNKMHGMSF 0.14
19 YNYMRGMSF 0.15
20 YVYMRGMSR 0.15
21 YVFMHGMSR 0.16
22 YNFMHGMSF 0.16
23 YNYMHGMSF 0.18
24 YVYMHGMSR 0.18
25 YVKMRGMSM 0.18
26 YVFMRGMSM 0.19
27 YNKMNGMSR 0.19
28 YVKMHGMSM 0.2
29 YVYMRGMSM 0.21
30 YNFMNGMSR 0.21
31 YVFMHGMSM 0.22
32 YNYMNGMSR 0.22
33 YVKMRGMSF 0.23
34 YNKRRGMSR 0.24
35 YVYMHGMSM 0.24
36 YVFMRGMSF 0.25
37 YNKMNGMSM 0.25
38 YVKMHGMSF 0.26
39 YNFRRGMSR 0.26
40 YVYMRGMSF 0.27
41 YNYRRGMSR 0.27
42 YNFMNGMSM 0.27
43 YNKRHGMSR 0.27
44 YWKMRGMSR 0.28
45 YVFMHGMSF 0.28
46 YNFRHGMSR 0.28
47 YNYMNGMSM 0.28
48 YNKMRGLSR 0.29
49 YWFMRGMSR 0.29
50 YVYMHGMSF 0.29
51 YNKRRGMSM 0.3
52 YNFMRGLSR 0.3
53 YWKMHGMSR 0.3
54 YNYRHGMSR 0.3
55 YWYMRGMSR 0.31
56 YNKMNGMSF 0.31
57 YVKMNGMSR 0.31
58 YNKMHGLSR 0.31
59 YWFMHGMSR 0.32
60 YVFMNGMSR 0.32
61 YNFMNGMSF 0.32
62 YNFRRGMSM 0.32
63 YNYMRGLSR 0.32
64 YNYRRGMSM 0.33
65 YNFMHGLSR 0.33
66 YNKRHGMSM 0.33
67 YVYMNGMSR 0.34
68 YWKMRGMSM 0.34
69 YWYMHGMSR 0.34
70 YNFRHGMSM 0.34
71 YNYMNGMSF 0.34
72 YNKMRGLSM 0.35
73 YWFMRGMSM 0.35
74 YNYMHGLSR 0.35
75 YNKRRGMSF 0.36
76 YVKRRGMSR 0.36
77 YNFMRGLSM 0.36
78 YWKMHGMSM 0.36
79 YNYRHGMSM 0.36
80 YVFRRGMSR 0.37
81 YWYMRGMSM 0.37
82 YVKMNGMSM 0.37
83 YNKMHGLSM 0.37
84 YNFRRGMSF 0.37
85 YWFMHGMSM 0.38
86 YVFMNGMSM 0.38
87 YVKRHGMSR 0.38
88 YNYMRGLSM 0.38
89 YVYRRGMSR 0.39
90 YNYRRGMSF 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YVKMRGMSM

3.7

-5.92

-2.22
2 YVYMRGMSM

3.89

-6.08

-2.19
3 YNYMRGMSM

4.0

-6.06

-2.06
4 YNKMRGMSF

4.37

-6.43

-2.06
5 YNFMRGMSR

4.17

-6.06

-1.89
6 YNKMRGMSM

4.05

-5.83

-1.78
7 YNYMRGMSF

4.08

-5.83

-1.75
8 YNFMRGMSM

4.08

-5.82

-1.74
9 YNYMHGMSM

3.85

-5.49

-1.64
10 YVFMRGMSM

3.76

-5.33

-1.57
11 YNKMRGMSR

4.4

-5.79

-1.39
12 YVYMRGMSR

4.11

-5.49

-1.38
13 YVKMRGMSR

4.19

-5.53

-1.34
14 YNFMHGMSM

3.74

-5.05

-1.31
15 YVFMRGMSR

3.94

-5.2

-1.26
16 YNYMRGMSR

4.25

-5.26

-1.01
17 YNFMRGMSF

3.99

-4.86

-0.87
18 YNFMNGMSR

3.97

-4.75

-0.78
19 YVKMHGMSM

5.54

-6.2

-0.66
20 YNKMNGMSR

4.2

-4.84

-0.64
21 YNKMHGMSR

5.33

-5.64

-0.31
22 YNYMHGMSR

3.88

-4.02

-0.14
23 YVFMHGMSR

4.16

-4.12

0.04
24 YNFMHGMSR

4.6

-4.52

0.08
25 YVKMHGMSR

5.29

-5.21

0.08
26 YVYMHGMSR

4.41

-4.29

0.12
27 YNKMHGMSM

5.47

-5.32

0.15
28 YNYMHGMSF

4.77

-4.4

0.37
29 YNFMHGMSF

4.2

-3.66

0.54
30 YNKMHGMSF

6.21

-5.09

1.12

 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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