Predicted ligand sequences


ADAN-name: 1DEV2.PDB (view again the scoring matrix)

PDB name: [1DEV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S Q S P N P N N P A E Y C S T I P P L Q
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 5.747 ΔGbinding -17.814
TOTAL
 -12.067
Backbone Hb -6.375 Cis_bond 0.000
Sidechain Hb -3.750 Torsional clash 0.904
Van der Waals -12.116 Backbone clash 1.226
Electrostatics -0.042 Helix dipole 0.002
Solvation Polar 9.991 Water bridges -0.250
Solvation Hyd -17.384 Disulfide -1.910
VdW clashes 4.484 Electrost. Kon -0.033
Entropy sc 3.983 Part.cov.bonds 0.000
Entropy mc

4.683

 ΔGstability

6.339
       

Predicted ligand sequences for template [1DEV2.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).
 
  1DEV2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ISFPFPMLPMTYSHNVRPWK 0.0
2 IHFPFPMLPMTYSHNVRPWK 0.01
3 ISFPFPFLPMTYSHNVRPWK 0.02
4 ISFPFPMLPMTYSHNFRPWK 0.02
5 ISFPFPWLPMTYSHNVRPWK 0.02
6 IHFPFPFLPMTYSHNVRPWK 0.03
7 ISFPMPMLPMTYSHNVRPWK 0.03
8 IHFPFPMLPMTYSHNFRPWK 0.03
9 IHFPFPWLPMTYSHNVRPWK 0.03
10 ISFPFPMLPMTYSHNVRPWG 0.03
11 ISFPFPMLPMTYSHNVRPWA 0.03
12 ISFPLPMLPMTYSHNVRPWK 0.04
13 ISFPFPWLPMTYSHNFRPWK 0.04
14 IHFPFPMLPMTYSHNVRPWG 0.04
15 QSFPFPMLPMTYSHNVRPWK 0.04
16 ISFPFPMLWMTYSHNVRPWK 0.04
17 IHFPFPMLPMTYSHNVRPWA 0.04
18 ISFPFPFLPMTYSHNFRPWK 0.04
19 IHFPMPMLPMTYSHNVRPWK 0.04
20 IHFPFPFLPMTYSHNFRPWK 0.05
21 ISFPMPMLPMTYSHNFRPWK 0.05
22 IHFPFPMLWMTYSHNVRPWK 0.05
23 IHFPLPMLPMTYSHNVRPWK 0.05
24 ISFPFPMLPMTYSHNFRPWG 0.05
25 ISFPFPMLPMTYSHNFRPWA 0.05
26 QHFPFPMLPMTYSHNVRPWK 0.05
27 ISFPFPFLPMTYSHNVRPWG 0.05
28 IHFPFPMLPMTYSHNFRPWA 0.05
29 ISFPFPWLPMTYSHNVRPWG 0.05
30 ISFPFPWLPMTYSHNVRPWA 0.05
31 ISFPFPFLPMTYSHNVRPWA 0.05
32 IHFPFPWLPMTYSHNFRPWK 0.05
33 ISFPFPMLWMTYSHNFRPWK 0.06
34 ISFPFPMLPMTYSHHVRPWK 0.06
35 VSFPFPMLPMTYSHNVRPWK 0.06
36 ISFPMPFLPMTYSHNVRPWK 0.06
37 QSFPFPMLPMTYSHNFRPWK 0.06
38 ISFPLPWLPMTYSHNVRPWK 0.06
39 IHFPFPFLPMTYSHNVRPWG 0.06
40 IHFPFPFLPMTYSHNVRPWA 0.06
41 ISFPLPFLPMTYSHNVRPWK 0.06
42 ISFPLPMLPMTYSHNFRPWK 0.06
43 IHFPMPMLPMTYSHNFRPWK 0.06
44 ISFPMPMLPMTYSHNVRPWA 0.06
45 ISFPMPMLPMTYSHNVRPWG 0.06
46 IHFPFPMLPMTYSHNFRPWG 0.06
47 IHFPFPWLPMTYSHNVRPWA 0.06
48 IHFPFPWLPMTYSHNVRPWG 0.06
49 ISFPMPWLPMTYSHNVRPWK 0.06
50 VHFPFPMLPMTYSHNVRPWK 0.06
51 IHFPLPMLPMTYSHNFRPWK 0.07
52 ISFPLPMLPMTYSHNVRPWG 0.07
53 ISFPLPMLPMTYSHNVRPWA 0.07
54 ISFPFPFLWMTYSHNVRPWK 0.07
55 ISFPFPWLPMTYSHNFRPWG 0.07
56 ISFPFPWLPMTYSHNFRPWA 0.07
57 ISFPFPMLWMTYSHNVRPWA 0.07
58 QSFPFPWLPMTYSHNVRPWK 0.07
59 IHFPLPFLPMTYSHNVRPWK 0.07
60 QHFPFPMLPMTYSHNFRPWK 0.07
61 IHFPLPWLPMTYSHNVRPWK 0.07
62 IHFPFPWLWMTYSHNVRPWK 0.07
63 IHFPFPMLWMTYSHNFRPWK 0.07
64 QSFPFPMLPMTYSHNVRPWG 0.07
65 QSFPFPMLPMTYSHNVRPWA 0.07
66 IHFPFPFLWMTYSHNVRPWK 0.07
67 IHFPMPWLPMTYSHNVRPWK 0.07
68 QSFPFPFLPMTYSHNVRPWK 0.07
69 VSFPFPMLPMTYSHNFRPWK 0.07
70 ISFPFPFLPMTYSHNFRPWA 0.07
71 ISFPFPFLPMTYSHNFRPWG 0.07
72 IHFPMPFLPMTYSHNVRPWK 0.07
73 IHFPMPMLPMTYSHNVRPWG 0.07
74 IHFPMPMLPMTYSHNVRPWA 0.07
75 IHFPFPMLPMTYSHHVRPWK 0.07
76 ISFPFPMLWMTYSHNVRPWG 0.07
77 ISFPFPWLWMTYSHNVRPWK 0.07
78 ISFPMPMLWMTYSHNVRPWK 0.08
79 IHFPFPFLPMTYSHNFRPWG 0.08
80 IHFPFPFLPMTYSHNFRPWA 0.08
81 ISFPLPFLPMTYSHNFRPWK 0.08
82 QSFPLPMLPMTYSHNVRPWK 0.08
83 VSFPFPMLPMTYSHNVRPWA 0.08
84 VSFPFPMLPMTYSHNVRPWG 0.08
85 VSFPFPWLPMTYSHNVRPWK 0.08
86 ISFPMPMLPMTYSHNFRPWG 0.08
87 ISFPMPMLPMTYSHNFRPWA 0.08
88 ISFPMPFLPMTYSHNVRPWA 0.08
89 IHFPFPMLWMTYSHNVRPWA 0.08
90 IHFPFPMLWMTYSHNVRPWG 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IHFPFPMLPMTYSHNVRPWK

3.09

-25.69

-22.6
2 ISFPLPMLPMTYSHNVRPWK

3.0

-25.41

-22.41
3 IHFPMPMLPMTYSHNVRPWK

3.62

-26.01

-22.39
4 ISFPFPMLPMTYSHNVRPWG

3.07

-25.1

-22.03
5 ISFPFPWLPMTYSHNVRPWK

3.56

-25.58

-22.02
6 IHFPFPFLPMTYSHNVRPWK

3.71

-25.59

-21.88
7 IHFPLPMLPMTYSHNVRPWK

3.92

-25.79

-21.87
8 IHFPFPMLWMTYSHNVRPWK

4.89

-26.69

-21.8
9 ISFPFPMLPMTYSHNFRPWA

3.16

-24.94

-21.78
10 ISFPMPMLPMTYSHNFRPWK

3.07

-24.84

-21.77
11 ISFPFPFLPMTYSHNVRPWG

3.74

-25.03

-21.29
12 ISFPFPWLPMTYSHNFRPWK

3.74

-25.0

-21.26
13 ISFPFPFLPMTYSHNFRPWK

3.8

-24.93

-21.13
14 QSFPFPMLPMTYSHNVRPWK

4.35

-25.37

-21.02
15 ISFPFPMLPMTYSHNVRPWK

4.21

-24.97

-20.76
16 QHFPFPMLPMTYSHNVRPWK

3.57

-24.24

-20.67
17 ISFPFPWLPMTYSHNVRPWA

3.17

-23.83

-20.66
18 ISFPMPMLPMTYSHNVRPWK

3.07

-23.66

-20.59
19 IHFPFPMLPMTYSHNVRPWG

4.6

-25.13

-20.53
20 IHFPFPWLPMTYSHNVRPWK

3.49

-23.7

-20.21
21 IHFPFPMLPMTYSHNFRPWA

4.03

-24.23

-20.2
22 ISFPFPMLPMTYSHNFRPWK

4.33

-24.33

-20.0
23 ISFPFPWLPMTYSHNVRPWG

3.85

-23.44

-19.59
24 IHFPFPMLPMTYSHNFRPWK

4.68

-23.89

-19.21
25 ISFPFPFLPMTYSHNVRPWK

4.0

-23.17

-19.17
26 ISFPFPMLPMTYSHNVRPWA

4.06

-23.05

-18.99
27 IHFPFPFLPMTYSHNFRPWK

4.47

-23.32

-18.85
28 ISFPFPMLWMTYSHNVRPWK

5.14

-23.7

-18.56
29 ISFPFPMLPMTYSHNFRPWG

4.22

-22.18

-17.96
30 IHFPFPMLPMTYSHNVRPWA

4.71

-21.91

-17.2

 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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