Predicted ligand sequences


ADAN-name: 1V184.PDB (view again the scoring matrix)

PDB name: [1V18.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L s L D E P F I Q K D V E L R I M P P V
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A
A
A
A
A
 A
A
 A
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 4.003 ΔGbinding -32.417
TOTAL
 -28.414
Backbone Hb -5.213 Cis_bond 0.000
Sidechain Hb -6.850 Torsional clash 1.493
Van der Waals -16.701 Backbone clash 0.762
Electrostatics -10.794 Helix dipole -0.097
Solvation Polar 22.068 Water bridges -0.628
Solvation Hyd -24.430 Disulfide 0.000
VdW clashes 0.785 Electrost. Kon -4.777
Entropy sc 7.443 Part.cov.bonds 0.000
Entropy mc

5.285

 ΔGstability

-117.197
       

Predicted ligand sequences for template [1V184.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).
 
  1V184.PDB  

(data)
# Predicted Sequences Value Calculate
1 LDLDERsEsEDyYMsyWsFM 0.0
2 LDLDERsEsEDyYMsFWsFM 0.01
3 LDLDERsEsEDyEMsyWsFM 0.02
4 LDLDERsEsEDyYMEyWsFM 0.02
5 LDLDERsEsEDyYMsGWsFM 0.03
6 LDLDERsEsEDyEMsFWsFM 0.03
7 LDLDERsEsEDyYMEFWsFM 0.03
8 LDLDERsEsEDpYMsyWsFM 0.04
9 LDLDERsEsEDyEMEyWsFM 0.04
10 LDLDEREEsEDyYMsyWsFM 0.04
11 LDLDERsEsEDyYMEGWsFM 0.04
12 LDLDERsEsEDyEMsGWsFM 0.05
13 LDLDERsEsEDyEMEFWsFM 0.05
14 LDLDEREEsEDyYMsFWsFM 0.05
15 LDLDERsEsEDpYMsFWsFM 0.05
16 LDLDERsEsEDpYMEyWsFM 0.06
17 LDLDEREEsEDyYMEyWsFM 0.06
18 LDLDEREEsEDyEMsyWsFM 0.07
19 LDLDERsEsEDsYMsFWsFM 0.07
20 LDLDEREEsEDyEMsFWsFM 0.07
21 LDLDERsEsEDyEMEGWsFM 0.07
22 LDLDEREEsEDyYMsGWsFM 0.07
23 LDLDEREEsEDyYMEFWsFM 0.07
24 LDLDERsEsEDsYMsyWsFM 0.07
25 LDLDERsEsEDpEMsyWsFM 0.07
26 LDLDERsEsEDpYMEFWsFM 0.07
27 LDLDERsEsEDpYMsGWsFM 0.07
28 LDLDERsEsEDyYMDyWsFM 0.07
29 LDLDERsEsEDpEMsFWsFM 0.08
30 LDLDEREEsEDyEMEyWsFM 0.08
31 LDLDERsEsEDsYMEyWsFM 0.08
32 LDLDERsEsEDyYMDFWsFM 0.08
33 LDLDERsEsEDpEMEyWsFM 0.09
34 LDLDEREEsEDyEMEFWsFM 0.09
35 LDLDERsEsEDsEMsyWsFM 0.09
36 LDLDEREEsEDyYMEGWsFM 0.09
37 LDLDERsEsEDyEMDyWsFM 0.09
38 LDLDERsEsEDpEMEFWsFM 0.09
39 LDLDERsEsEDpEMsGWsFM 0.09
40 LDLDERsEsEDsYMEFWsFM 0.09
41 LDLDEREEsEDpYMsFWsFM 0.09
42 LDLDERsEsEDpYMEGWsFM 0.09
43 LDLDEREEsEDyEMsGWsFM 0.09
44 LDLDERsEsEDsYMsGWsFM 0.09
45 LDLDEREEsEDpYMsyWsFM 0.09
46 LDLDERsEsEDsEMsFWsFM 0.1
47 LDLDERsEsEDyYMDGWsFM 0.1
48 LDLDEREEsEDpYMEyWsFM 0.1
49 LDLDERsEsEDyEMDFWsFM 0.1
50 LDLDERsEsEDsEMEyWsFM 0.11
51 LDLDERsEsEDpEMEGWsFM 0.11
52 LDLDEREEsEDpYMsGWsFM 0.11
53 LDLDEREEsEDpEMsyWsFM 0.11
54 LDLDERsEsEDsYMEGWsFM 0.11
55 LDLDERsEsEDsEMsGWsFM 0.11
56 LDLDERsEsEDpYMDyWsFM 0.11
57 LDLDEREEsEDsYMsyWsFM 0.11
58 LDLDERsEsEDsEMEFWsFM 0.11
59 LDLDEREEsEDpYMEFWsFM 0.11
60 LDLDEREEsEDyYMDyWsFM 0.11
61 LDLDEREEsEDyEMEGWsFM 0.11
62 LDLDEREEsEDsYMsFWsFM 0.12
63 LDLDERsEsEDpYMDFWsFM 0.12
64 LDLDEREEsEDpEMsFWsFM 0.12
65 LDLDERsEsEDyEMDGWsFM 0.12
66 LDLDEREEsEDyYMDFWsFM 0.12
67 LDLDERsEsEDyMMsyWsFM 0.12
68 LDLDEREEsEDsYMEFWsFM 0.13
69 LDLDEREEsEDpEMsGWsFM 0.13
70 LDLDERsEsEDsEMEGWsFM 0.13
71 LDLDEREEsEDpYMEGWsFM 0.13
72 LDLDERsEsEDyMMsFWsFM 0.13
73 LDLDEREEsEDpEMEyWsFM 0.13
74 LDLDEREEsEDsEMsyWsFM 0.13
75 LDLDEREEsEDsYMsGWsFM 0.13
76 LDLDEREEsEDsYMEyWsFM 0.13
77 LDLDERsEsEDsYMDFWsFM 0.14
78 LDLDERsEsEDpEMDyWsFM 0.14
79 LDLDEREEsEDyEMDFWsFM 0.14
80 LDLDEREEsEDyYMDGWsFM 0.14
81 LDLDEREEsEDpEMEFWsFM 0.14
82 LDLDEREEsEDsEMsFWsFM 0.14
83 LDLDERsEsEDpYMDGWsFM 0.14
84 LDLDERsEsEDyMMEyWsFM 0.14
85 LDLDERsEsEDsYMDyWsFM 0.14
86 LDLDEREEsEDyEMDyWsFM 0.14
87 LDLDEREEsEDpEMEGWsFM 0.15
88 LDLDERsEsEDpEMDFWsFM 0.15
89 LDLDERsEsEDyMMsGWsFM 0.15
90 LDLDEREEsEDsYMEGWsFM 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 LDLDEREEsEDyEMsFWsFM

3.38

-38.85

-35.47
2 LDLDERsEsEDyYMDyWsFM

3.27

-38.4

-35.13
3 LDLDERsEsEDyEMsFWsFM

3.26

-38.15

-34.89
4 LDLDERsEsEDyYMEFWsFM

3.76

-38.25

-34.49
5 LDLDERsEsEDyEMsGWsFM

2.99

-37.4

-34.41
6 LDLDEREEsEDyYMEyWsFM

3.32

-37.7

-34.38
7 LDLDERsEsEDpYMsyWsFM

3.18

-37.52

-34.34
8 LDLDEREEsEDyEMsyWsFM

3.51

-37.76

-34.25
9 LDLDERsEsEDyYMsyWsFM

3.47

-37.55

-34.08
10 LDLDERsEsEDyYMsGWsFM

3.3

-37.35

-34.05
11 LDLDERsEsEDyEMEGWsFM

3.3

-37.19

-33.89
12 LDLDERsEsEDyYMEGWsFM

3.19

-36.8

-33.61
13 LDLDERsEsEDpYMsFWsFM

3.37

-36.95

-33.58
14 LDLDERsEsEDpYMEFWsFM

3.45

-36.99

-33.54
15 LDLDERsEsEDpYMsGWsFM

3.47

-36.91

-33.44
16 LDLDERsEsEDpEMsFWsFM

3.34

-36.56

-33.22
17 LDLDERsEsEDsYMsyWsFM

3.69

-36.87

-33.18
18 LDLDERsEsEDpEMsyWsFM

3.06

-36.19

-33.13
19 LDLDERsEsEDyYMEyWsFM

3.4

-36.52

-33.12
20 LDLDERsEsEDyEMEFWsFM

3.26

-36.3

-33.04
21 LDLDEREEsEDyYMsyWsFM

3.37

-36.38

-33.01
22 LDLDERsEsEDpYMEyWsFM

3.27

-36.28

-33.01
23 LDLDEREEsEDyYMEFWsFM

3.71

-36.4

-32.69
24 LDLDERsEsEDyYMsFWsFM

3.56

-36.01

-32.45
25 LDLDEREEsEDyYMsGWsFM

3.3

-35.54

-32.24
26 LDLDERsEsEDsYMsFWsFM

3.03

-35.14

-32.11
27 LDLDEREEsEDyYMsFWsFM

3.36

-35.39

-32.03
28 LDLDERsEsEDyEMEyWsFM

3.2

-34.33

-31.13
29 LDLDERsEsEDyEMsyWsFM

3.04

-32.96

-29.92
30 LDLDEREEsEDyEMEyWsFM

3.83

-32.52

-28.69

 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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