Predicted ligand sequences


ADAN-name: 1PJN2.PDB (view again the scoring matrix)

PDB name: [1PJN.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R K K R K T E E E S P L K D K A K K S K
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 7.117 ΔGbinding -27.356
TOTAL
 -20.239
Backbone Hb -9.112 Cis_bond 0.000
Sidechain Hb -26.512 Torsional clash 1.302
Van der Waals -23.676 Backbone clash 5.696
Electrostatics -6.786 Helix dipole -0.125
Solvation Polar 43.596 Water bridges -0.428
Solvation Hyd -26.541 Disulfide 0.000
VdW clashes 1.656 Electrost. Kon -3.679
Entropy sc 15.273 Part.cov.bonds 0.000
Entropy mc

7.675

 ΔGstability

-44.225
       

Predicted ligand sequences for template [1PJN2.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).
 
  1PJN2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRRRRYPNPCyDKFWKMRF 0.0
2 HRRRRRYPNDCyDKFWKMRF 0.02
3 HRRRRRYPNsCyDKFWKMRF 0.03
4 HRRRRRYPNPMyDKFWKMRF 0.08
5 HRRRRRYPNPCyDKsWKMRF 0.08
6 HRRRRRYPNDMyDKFWKMRF 0.1
7 HRRRRRYPNPCyDKHWKMRF 0.1
8 HRRRRRYPNDCyDKsWKMRF 0.1
9 HRRRRRYPNsMyDKFWKMRF 0.11
10 HRRRRRYPNsCyDKsWKMRF 0.12
11 HRRRRRYPNDCyDKHWKMRF 0.12
12 HRRRRRYPNsCyDKHWKMRF 0.13
13 HRRRRRYsNPCyDKFWKMRF 0.14
14 HRRRRRYsNDCyDKFWKMRF 0.16
15 HRRRRRYPNPMyDKsWKMRF 0.16
16 HRRRRRYPNPMyDKHWKMRF 0.17
17 HRRRRRYsNsCyDKFWKMRF 0.17
18 HRRRRRYPNDMyDKsWKMRF 0.18
19 HRRRRRYPNDMyDKHWKMRF 0.19
20 HRRRRRYPNsMyDKsWKMRF 0.19
21 HRRRRRYPNPCyDKFWKWRF 0.2
22 HRRRRRYPNsMyDKHWKMRF 0.2
23 HRRRRRYPDPCyDKFWKMRF 0.21
24 HRRRRRYsNPMyDKFWKMRF 0.21
25 HRRRRRYPNDCyDKFWKWRF 0.22
26 HRRRRRYsNPCyDKsWKMRF 0.22
27 HRRRRRYPDDCyDKFWKMRF 0.23
28 WRRRRRYPNPCyDKFWKMRF 0.23
29 HRRRRRYsNPCyDKHWKMRF 0.23
30 HRRRRRYsNDMyDKFWKMRF 0.23
31 HRRRRRYPNsCyDKFWKWRF 0.24
32 HRRRRRYsNDCyDKsWKMRF 0.24
33 HRRRRRYPNPCGDKFWKMRF 0.24
34 HRRRRRYsNDCyDKHWKMRF 0.25
35 HRRRRRYPDsCyDKFWKMRF 0.25
36 HRRRRRYsNsMyDKFWKMRF 0.25
37 HRRRRRYsNsCyDKsWKMRF 0.25
38 WRRRRRYPNDCyDKFWKMRF 0.25
39 WRRRRRYPNsCyDKFWKMRF 0.26
40 HRRRRRYENPCyDKFWKMRF 0.26
41 HRRRRRYPNDCGDKFWKMRF 0.26
42 HRRRRRYPNsCGDKFWKMRF 0.27
43 HRRRRRYsNsCyDKHWKMRF 0.27
44 HRRRRRYENDCyDKFWKMRF 0.28
45 HRRRRRYPNPMyDKFWKWRF 0.28
46 HRRRRRYPNPNyDKFWKMRF 0.28
47 HRRRRRYPDPMyDKFWKMRF 0.29
48 HRRRRRYPNPCyDKsWKWRF 0.29
49 HRRRRRYPNDMyDKFWKWRF 0.3
50 HRRRRRYsNPMyDKsWKMRF 0.3
51 HRRRRRYPDPCyDKsWKMRF 0.3
52 HRRRRRYPNPCyDKHWKWRF 0.3
53 WRRRRRYPNPMyDKFWKMRF 0.3
54 HRRRRRYENsCyDKFWKMRF 0.3
55 HRRRRRYPNDNyDKFWKMRF 0.3
56 HRRRRRYPDDMyDKFWKMRF 0.31
57 WRRRRRYPNPCyDKsWKMRF 0.31
58 HRRRRRYsNPMyDKHWKMRF 0.31
59 HRRRRRYPNsMyDKFWKWRF 0.31
60 HRRRRRYPDPCyDKHWKMRF 0.31
61 HRRRRRYPNsNyDKFWKMRF 0.31
62 HRRRRRYPNDCyDKsWKWRF 0.31
63 HRRRRRYPNPCGDKsWKMRF 0.32
64 HRRRRRYPNPMGDKFWKMRF 0.32
65 WRRRRRYPNPCyDKHWKMRF 0.32
66 HRRRRRYPQPCyDKFWKMRF 0.32
67 HRRRRRYsNDMyDKsWKMRF 0.32
68 HRRRRRYPNDCyDKHWKWRF 0.32
69 HRRRRRYPNsCyDKsWKWRF 0.32
70 WRRRRRYPNDMyDKFWKMRF 0.32
71 HRRRRRYPDsMyDKFWKMRF 0.32
72 HRRRRRYPDDCyDKsWKMRF 0.32
73 WRRRRRYPNDCyDKsWKMRF 0.33
74 HRRRRRYPDsCyDKsWKMRF 0.33
75 HRRRRRYsNDMyDKHWKMRF 0.33
76 HRRRRRYsNsMyDKsWKMRF 0.33
77 HRRRRRYPDDCyDKHWKMRF 0.33
78 HRRRRRYPNsCyDKHWKWRF 0.33
79 HRRRRRYPNPCGDKHWKMRF 0.33
80 YRRRRRYPNPCyDKFWKMRF 0.33
81 HRRRRRYPQDCyDKFWKMRF 0.34
82 WRRRRRYPNDCyDKHWKMRF 0.34
83 HRRRRRYsNPCyDKFWKWRF 0.34
84 WRRRRRYPNsMyDKFWKMRF 0.34
85 HRRRRRYPNDCGDKsWKMRF 0.34
86 HRRRRRYPNDMGDKFWKMRF 0.34
87 HRRRRRYENPMyDKFWKMRF 0.34
88 HRRRRRYsNsMyDKHWKMRF 0.34
89 WRRRRRYPNsCyDKsWKMRF 0.34
90 HRRRRRYPDsCyDKHWKMRF 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRRRRRYPNPCyDKFWKMRF

7.17

-52.05

-44.88
2 HRRRRRYsNDCyDKFWKMRF

6.51

-48.23

-41.72
3 HRRRRRYsNPMyDKFWKMRF

8.39

-49.53

-41.14
4 HRRRRRYPNsMyDKHWKMRF

9.54

-50.52

-40.98
5 HRRRRRYPNDCyDKFWKWRF

6.06

-46.59

-40.53
6 HRRRRRYPNPCyDKFWKWRF

6.62

-46.33

-39.71
7 HRRRRRYsNPCyDKHWKMRF

5.48

-43.93

-38.45
8 HRRRRRYPNDMyDKHWKMRF

7.68

-46.02

-38.34
9 HRRRRRYPNsMyDKsWKMRF

8.43

-46.68

-38.25
10 HRRRRRYPNPMyDKHWKMRF

7.83

-45.78

-37.95
11 HRRRRRYPNsCyDKHWKMRF

6.52

-43.24

-36.72
12 HRRRRRYsNDMyDKFWKMRF

7.95

-44.4

-36.45
13 HRRRRRYPNDCyDKFWKMRF

6.85

-43.26

-36.41
14 HRRRRRYPNPCyDKHWKMRF

7.02

-43.2

-36.18
15 HRRRRRYPNPMyDKsWKMRF

8.54

-44.48

-35.94
16 HRRRRRYPNDCyDKsWKMRF

8.39

-44.12

-35.73
17 HRRRRRYPNDMyDKsWKMRF

8.07

-43.36

-35.29
18 HRRRRRYPNPCyDKsWKMRF

7.17

-42.02

-34.85
19 HRRRRRYPDDCyDKFWKMRF

7.67

-42.22

-34.55
20 HRRRRRYsNsCyDKFWKMRF

6.88

-41.31

-34.43
21 HRRRRRYPNDCyDKHWKMRF

6.59

-40.19

-33.6
22 HRRRRRYPNsMyDKFWKMRF

9.85

-42.72

-32.87
23 HRRRRRYsNPCyDKFWKMRF

7.08

-39.44

-32.36
24 HRRRRRYPDPCyDKFWKMRF

9.06

-41.35

-32.29
25 WRRRRRYPNPCyDKFWKMRF

7.36

-39.5

-32.14
26 HRRRRRYPNsCyDKFWKMRF

7.57

-38.87

-31.3
27 HRRRRRYPNDMyDKFWKMRF

9.12

-40.37

-31.25
28 HRRRRRYPNPMyDKFWKMRF

11.49

-42.25

-30.76
29 HRRRRRYPNsCyDKsWKMRF

7.95

-36.5

-28.55
30 HRRRRRYsNPCyDKsWKMRF

10.15

-38.61

-28.46

 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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