Predicted ligand sequences


ADAN-name: 1JPP2.PDB (view again the scoring matrix)

PDB name: [1JPP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L D T P I N Y S L K Y
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala 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 3.166 ΔGbinding -11.815
TOTAL
 -8.649
Backbone Hb -2.800 Cis_bond 0.000
Sidechain Hb -4.800 Torsional clash 0.526
Van der Waals -9.359 Backbone clash 1.888
Electrostatics -6.335 Helix dipole 0.059
Solvation Polar 16.531 Water bridges -0.444
Solvation Hyd -8.925 Disulfide 0.000
VdW clashes 0.392 Electrost. Kon -2.544
Entropy sc 1.211 Part.cov.bonds 0.000
Entropy mc

4.674

 ΔGstability

156.089
       

Predicted ligand sequences for template [1JPP2.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).
 
  1JPP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDsPHTYIRyY 0.0
2 EDDPHTYIRyY 0.01
3 EDsPHTYIRYY 0.04
4 EDsPHTYIRMY 0.05
5 EDDPHTYIRYY 0.05
6 EDDPHTYIRMY 0.07
7 EEsPHTYIRyY 0.09
8 EEDPHTYIRyY 0.1
9 EDsPHTNIRyY 0.1
10 EDDPHTNIRyY 0.11
11 EEsPHTYIRYY 0.12
12 EDsPHTFIRyY 0.13
13 EEDPHTYIRYY 0.14
14 DDsPHTYIRyY 0.14
15 EDsPHTNIRYY 0.14
16 EEsPHTYIRMY 0.14
17 EDDPHTFIRyY 0.14
18 EDDPHTNIRYY 0.15
19 DDDPHTYIRyY 0.15
20 EDsPHTNIRMY 0.15
21 EEDPHTYIRMY 0.15
22 EDDPHTNIRMY 0.16
23 YDsPHTYIRyY 0.16
24 EDsPHTFIRYY 0.17
25 YDDPHTYIRyY 0.18
26 EDsPHTFIRMY 0.18
27 EEsPHTNIRyY 0.18
28 EDDPHTFIRYY 0.18
29 DDsPHTYIRYY 0.18
30 DDDPHTYIRYY 0.19
31 EDsPHTYIyyY 0.19
32 DDsPHTYIRMY 0.19
33 EDDPHTYIyyY 0.2
34 YDsPHTYIRYY 0.2
35 DDDPHTYIRMY 0.2
36 EEDPHTNIRyY 0.2
37 EDDPHTFIRMY 0.2
38 DEsPHTYIRyY 0.22
39 EEsPHTFIRyY 0.22
40 YDDPHTYIRYY 0.22
41 EEsPHTNIRYY 0.22
42 YDsPHTYIRMY 0.22
43 EDsPHTYIyYY 0.23
44 YDDPHTYIRMY 0.23
45 EEDPHTFIRyY 0.23
46 EEDPHTNIRYY 0.24
47 EDsPHTYIyMY 0.24
48 DEDPHTYIRyY 0.24
49 EEsPHTNIRMY 0.24
50 EDDPHTYIyYY 0.24
51 DDsPHTNIRyY 0.24
52 EDDPHTYIyMY 0.25
53 YEsPHTYIRyY 0.25
54 DDDPHTNIRyY 0.25
55 EEDPHTNIRMY 0.25
56 DEsPHTYIRYY 0.26
57 YEDPHTYIRyY 0.26
58 YDsPHTNIRyY 0.26
59 EEsPHTFIRYY 0.26
60 DDsPHTFIRyY 0.27
61 EEDPHTFIRYY 0.27
62 EEsPHTYIyyY 0.27
63 EEsPHTFIRMY 0.27
64 EDsPHTYWRyY 0.28
65 YDDPHTNIRyY 0.28
66 DDsPHTNIRYY 0.28
67 EEDPHTFIRMY 0.28
68 DEDPHTYIRYY 0.28
69 DDDPHTFIRyY 0.28
70 EEDPHTYIyyY 0.28
71 DEsPHTYIRMY 0.28
72 EDVPHTYIRyY 0.28
73 EDsPHTNIyyY 0.28
74 DDsPHTNIRMY 0.29
75 DEDPHTYIRMY 0.29
76 YEsPHTYIRYY 0.29
77 DDDPHTNIRYY 0.29
78 EDDPHTYWRyY 0.29
79 YDsPHTNIRYY 0.3
80 YDsPHTFIRyY 0.3
81 DDDPHTNIRMY 0.3
82 YEDPHTYIRYY 0.3
83 YEsPHTYIRMY 0.3
84 EDDPHTNIyyY 0.3
85 YDDPHTFIRyY 0.31
86 YDDPHTNIRYY 0.31
87 DDsPHTFIRYY 0.31
88 EEsPHTYIyYY 0.31
89 DDsPHTYIyyY 0.32
90 YEDPHTYIRMY 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDsPHTYIRYY

4.18

-16.54

-12.36
2 EEDPHTYIRMY

4.01

-16.03

-12.02
3 EDsPHTFIRMY

4.57

-16.59

-12.02
4 EEsPHTNIRyY

4.7

-15.5

-10.8
5 EDDPHTNIRMY

4.06

-14.4

-10.34
6 EDsPHTNIRYY

4.18

-13.91

-9.73
7 EDDPHTNIRYY

4.18

-13.67

-9.49
8 EDsPHTFIRyY

4.59

-14.02

-9.43
9 DDsPHTYIRyY

5.17

-14.56

-9.39
10 EEDPHTYIRyY

4.01

-13.14

-9.13
11 EDsPHTNIRMY

4.78

-13.9

-9.12
12 EDDPHTYIRMY

4.67

-13.68

-9.01
13 EDDPHTNIRyY

4.66

-13.65

-8.99
14 YDsPHTYIRyY

5.02

-12.89

-7.87
15 EEsPHTYIRYY

4.62

-12.48

-7.86
16 EEsPHTYIRMY

4.59

-12.41

-7.82
17 EDsPHTYIRyY

4.23

-11.95

-7.72
18 YDDPHTYIRyY

4.81

-12.4

-7.59
19 EDsPHTFIRYY

5.15

-12.61

-7.46
20 EDsPHTYIRYY

4.32

-11.74

-7.42
21 EEsPHTYIRyY

3.85

-11.23

-7.38
22 EEDPHTYIRYY

4.57

-11.85

-7.28
23 EDsPHTYIRMY

4.59

-11.47

-6.88
24 EDDPHTYIRyY

4.33

-11.03

-6.7
25 EDDPHTYIRYY

4.5

-10.98

-6.48
26 DDDPHTYIRYY

5.26

-11.57

-6.31
27 EDDPHTFIRYY

8.78

-14.89

-6.11
28 EDsPHTNIRyY

7.02

-11.53

-4.51
29 EDDPHTFIRyY

6.1

-10.43

-4.33
30 DDDPHTYIRyY

6.81

-10.68

-3.87

 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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