Predicted ligand sequences


ADAN-name: 1MV32.PDB (view again the scoring matrix)

PDB name: [1MV3.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q L R K G P P V P P P
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
A
 A A G 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 9.824 ΔGbinding -0.120
TOTAL
 9.704
Backbone Hb -1.200 Cis_bond 0.000
Sidechain Hb -2.790 Torsional clash 0.270
Van der Waals -5.800 Backbone clash 0.640
Electrostatics -0.870 Helix dipole 0.000
Solvation Polar 8.290 Water bridges -0.700
Solvation Hyd -7.350 Disulfide 0.000
VdW clashes 3.530 Electrost. Kon -1.190
Entropy sc 4.530 Part.cov.bonds 0.000
Entropy mc

3.160

 ΔGstability

50.530
       

Predicted ligand sequences for template [1MV32.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).
 
  1MV32.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRHQRMFKPE 0.0
2 KRRHQRMFKPD 0.01
3 KRRHQRMFKKE 0.03
4 KRRHQRMFKPF 0.03
5 KRRHQRMFHPE 0.04
6 KRRHQRMFKKD 0.04
7 KRRHMRMFKPE 0.05
8 KRRHQRMFHPD 0.05
9 KRRHMRMFKPD 0.06
10 KRRHQRMFKKF 0.06
11 KRRHQRMFKRE 0.07
12 KRRHQRMFHPF 0.07
13 KRRHQRMFHKE 0.07
14 KRRHQRMFKRD 0.08
15 KRRHMRMFKPF 0.08
16 KRRHQRMFHKD 0.08
17 KRRHMRMFKKE 0.08
18 KRRHMRMFHPE 0.09
19 KRRHMRMFKKD 0.09
20 KRRHQRMFKRF 0.1
21 KRRHMRMFHPD 0.1
22 KRRHQRMFHKF 0.1
23 KRRHQRMFHRE 0.11
24 KRRHQRMFGPE 0.11
25 KRRHMRMFKKF 0.11
26 KRRRQRMFKPE 0.12
27 KRRHMRMFHKE 0.12
28 KRRHQRMFHRD 0.12
29 KRRHMRMFHPF 0.12
30 KRRHQRMFGPD 0.12
31 KRRHMRMFKRE 0.12
32 KRRRQRMFKPD 0.13
33 KRRHMRMFHKD 0.13
34 KRRHMRMFKRD 0.13
35 KRHHQRMFKPE 0.14
36 KRRHQRMFHRF 0.14
37 KRRHQRMFGPF 0.14
38 KRRHQRMFGKE 0.14
39 KRRHQRMMKPE 0.14
40 KRHHQRMFKPD 0.15
41 KRRRQRMFKPF 0.15
42 KRRRQRMFHPE 0.15
43 KRRHMRMFHKF 0.15
44 KRRRQRMFKKE 0.15
45 KRRHQRMFGKD 0.15
46 KRRHMRMFKRF 0.15
47 KRRHQRMMKPD 0.15
48 KRRRQRMFHPD 0.16
49 KRRRQRMFKKD 0.16
50 KRRHMRMFHRE 0.16
51 KRRHMRMFGPE 0.16
52 KRHHQRMFKPF 0.17
53 KRHHQRMFKKE 0.17
54 KRRHQRMFGKF 0.17
55 KRRRMRMFKPE 0.17
56 KRRHMRMFHRD 0.17
57 KRRHMRMFGPD 0.17
58 KRRHQRMFGRE 0.17
59 KRRHQRMMKPF 0.17
60 KRRHQRMMKKE 0.18
61 KRHHQRMFHPE 0.18
62 KRRRQRMFHPF 0.18
63 KRHHQRMFKKD 0.18
64 KRRRQRMFKKF 0.18
65 KRRHQRMMHPE 0.18
66 KRRRMRMFKPD 0.18
67 KRRRQRMFKRE 0.18
68 KRRHQRMMKKD 0.19
69 KRRHQRMFGRD 0.19
70 KRSHQRMFKPE 0.19
71 KRHHQRMFHPD 0.19
72 KRRRQRMFHKE 0.19
73 KRHHMRMFKPE 0.19
74 KRRHQRMMHPD 0.19
75 KRRHMRMFGKE 0.19
76 KRRHMRMFHRF 0.19
77 KRRHMRMFGPF 0.19
78 KRRRQRMFKRD 0.19
79 KRRRMRMFKKE 0.2
80 KRHHQRMFKKF 0.2
81 KRSHQRMFKPD 0.2
82 KRRRQRMFHKD 0.2
83 KRRHMRMMKPE 0.2
84 KRHHMRMFKPD 0.2
85 KRRRMRMFKPF 0.2
86 KRRHMRMFGKD 0.2
87 KRRHQRMFGRF 0.2
88 KRRHQRMMKKF 0.21
89 KRRHQRMMHKE 0.21
90 KRRHHRMFKPE 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRHQRMFHKE

10.98

-8.81

2.17
2 KRRHQRMFKRE

9.81

-7.42

2.39
3 KRRHQRMFKRF

11.3

-8.48

2.82
4 KRRHQRMFGPD

10.7

-7.87

2.83
5 KRRHQRMFGPE

10.5

-7.44

3.06
6 KRRHQRMFKPD

8.94

-5.67

3.27
7 KRRHQRMFHKD

10.4

-7.1

3.3
8 KRRHQRMFHKF

11.02

-7.68

3.34
9 KRRHMRMFKKD

10.52

-7.17

3.35
10 KRRHMRMFHPE

9.45

-5.94

3.51
11 KRRHQRMFKKE

11.36

-7.84

3.52
12 KRRHQRMFHPE

10.29

-6.72

3.57
13 KRRHQRMFHRE

11.33

-7.71

3.62
14 KRRHMRMFHPD

11.04

-7.37

3.67
15 KRRHQRMFKPF

9.61

-5.91

3.7
16 KRRHQRMFKRD

11.15

-7.43

3.72
17 KRRHMRMFKKF

12.13

-8.17

3.96
18 KRRHQRMFKPE

11.55

-7.53

4.02
19 KRRHQRMFHRD

10.93

-6.75

4.18
20 KRRHQRMFHPF

10.63

-6.39

4.24
21 KRRHMRMFHPF

10.75

-6.3

4.45
22 KRRHQRMFKKD

10.14

-5.49

4.65
23 KRRRQRMFKPE

10.99

-6.3

4.69
24 KRRHMRMFKPD

10.88

-6.19

4.69
25 KRRHMRMFKPF

11.75

-6.97

4.78
26 KRRHMRMFHKE

10.93

-6.09

4.84
27 KRRHQRMFHPD

12.03

-7.06

4.97
28 KRRHMRMFKKE

11.0

-5.7

5.3
29 KRRHQRMFKKF

10.64

-5.03

5.61
30 KRRHMRMFKPE

11.87

-5.18

6.69

 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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