Predicted ligand sequences


ADAN-name: 1JPW2.PDB (view again the scoring matrix)

PDB name: [1JPW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G A N D E L I S F K D E G
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
G
A
A
A
 A
A
 A A A
A
A
A
G

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 8.775 ΔGbinding -18.660
TOTAL
 -9.885
Backbone Hb -6.488 Cis_bond 0.000
Sidechain Hb -7.013 Torsional clash 1.176
Van der Waals -14.521 Backbone clash 0.688
Electrostatics -11.352 Helix dipole 0.139
Solvation Polar 25.571 Water bridges -0.676
Solvation Hyd -17.711 Disulfide 0.000
VdW clashes 3.607 Electrost. Kon -4.909
Entropy sc 6.595 Part.cov.bonds 0.000
Entropy mc

6.919

 ΔGstability

50.281
       

Predicted ligand sequences for template [1JPW2.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).
 
  1JPW2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyDEsKSRIyDEG 0.0
2 yyDEsKMRIyDEG 0.01
3 yyDDsKSRIyDEG 0.03
4 yyEEsKSRIyDEG 0.03
5 yyDDsKMRIyDEG 0.04
6 yyEEsKMRIyDEG 0.05
7 yyEDsKSRIyDEG 0.06
8 yyDEsKSKIyDEG 0.07
9 yyEDsKMRIyDEG 0.07
10 yyDEPKSRIyDEG 0.09
11 yyDEsKMKIyDEG 0.09
12 yyDEPKMRIyDEG 0.1
13 yyDDsKSKIyDEG 0.1
14 yyEEsKSKIyDEG 0.11
15 yyDDsKMKIyDEG 0.11
16 yyEEsKMKIyDEG 0.12
17 yyDDPKSRIyDEG 0.12
18 yyDEEKSRIyDEG 0.12
19 yyEEPKSRIyDEG 0.12
20 yyDDPKMRIyDEG 0.13
21 yyEDsKSKIyDEG 0.13
22 yyDEsKSRyyDEG 0.14
23 yyEEPKMRIyDEG 0.14
24 yyDEEKMRIyDEG 0.14
25 yyDDEKSRIyDEG 0.15
26 yyEEEKSRIyDEG 0.15
27 yyEDPKSRIyDEG 0.15
28 yyEDsKMKIyDEG 0.15
29 yyDEPKSKIyDEG 0.16
30 yyDEsKMRyyDEG 0.16
31 yyDDEKMRIyDEG 0.16
32 yyEDPKMRIyDEG 0.16
33 yyEEEKMRIyDEG 0.17
34 yyDEPKMKIyDEG 0.17
35 yyDDsKSRyyDEG 0.17
36 yyEDEKSRIyDEG 0.18
37 yyEEsKSRyyDEG 0.18
38 yyEEsKMRyyDEG 0.19
39 yyEEPKSKIyDEG 0.19
40 yyDDsKMRyyDEG 0.19
41 yyDDPKSKIyDEG 0.19
42 yyDEEKSKIyDEG 0.19
43 yyEDEKMRIyDEG 0.2
44 yyDDPKMKIyDEG 0.2
45 yyEDsKSRyyDEG 0.21
46 yyEEPKMKIyDEG 0.21
47 yyDEEKMKIyDEG 0.21
48 yyDEsKSKyyDEG 0.22
49 yyEDsKMRyyDEG 0.22
50 yyDEsKSRTyDEG 0.22
51 yyDDEKSKIyDEG 0.22
52 yyEDPKSKIyDEG 0.22
53 yyDDEKMKIyDEG 0.23
54 yyDEPKSRyyDEG 0.23
55 yyEEEKSKIyDEG 0.23
56 yyEDPKMKIyDEG 0.23
57 yyDEsKMKyyDEG 0.23
58 yyDEsKMRTyDEG 0.23
59 yyDEsKSWIyDEG 0.24
60 yyEEEKMKIyDEG 0.24
61 yyDDsKSKyyDEG 0.25
62 yyDEsKMWIyDEG 0.25
63 yyDEPKMRyyDEG 0.25
64 yyDDsKSRTyDEG 0.25
65 yyEEsKSRTyDEG 0.25
66 yyEEsKSKyyDEG 0.25
67 yyEDEKSKIyDEG 0.25
68 yyDDsKMRTyDEG 0.26
69 yyDDPKSRyyDEG 0.26
70 yyDEsKIRIyDEG 0.26
71 yyEEsKMKyyDEG 0.26
72 yyEEsKMRTyDEG 0.26
73 yyDDsKMKyyDEG 0.26
74 yyDDsKSWIyDEG 0.27
75 yyEEsKSWIyDEG 0.27
76 yyEEPKSRyyDEG 0.27
77 yyDEEKSRyyDEG 0.27
78 yyEDEKMKIyDEG 0.27
79 yyEDsKSRTyDEG 0.28
80 yyDEEKMRyyDEG 0.28
81 yyEDsKSKyyDEG 0.28
82 yyEEPKMRyyDEG 0.28
83 yyDDPKMRyyDEG 0.28
84 yyDDsKMWIyDEG 0.28
85 yyDDEKSRyyDEG 0.29
86 yyEDsKMRTyDEG 0.29
87 yyEDPKSRyyDEG 0.29
88 yyDDsKIRIyDEG 0.29
89 yyEEsKMWIyDEG 0.29
90 yyEDsKMKyyDEG 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyDEsKMKIyDEG

4.86

-26.32

-21.46
2 yyEDsKMRIyDEG

7.34

-27.37

-20.03
3 yyDEsKMRIyDEG

5.19

-25.08

-19.89
4 yyDDsKMRIyDEG

7.04

-26.78

-19.74
5 yyEDsKMKIyDEG

7.36

-27.07

-19.71
6 yyDEsKMRyyDEG

5.42

-25.02

-19.6
7 yyDEsKSRyyDEG

4.78

-24.03

-19.25
8 yyEEsKMRIyDEG

5.25

-24.32

-19.07
9 yyDDEKSRIyDEG

6.41

-25.42

-19.01
10 yyDDsKMKIyDEG

6.98

-25.66

-18.68
11 yyDEsKSRIyDEG

4.3

-22.89

-18.59
12 yyDEEKMRIyDEG

5.47

-23.79

-18.32
13 yyDDPKMRIyDEG

7.87

-26.17

-18.3
14 yyEDsKSKIyDEG

6.64

-24.94

-18.3
15 yyEEsKSRIyDEG

4.55

-22.73

-18.18
16 yyDDsKSKIyDEG

6.42

-24.58

-18.16
17 yyDEPKMRIyDEG

7.44

-25.36

-17.92
18 yyDEPKSKIyDEG

4.88

-22.6

-17.72
19 yyEEPKMRIyDEG

5.78

-23.4

-17.62
20 yyDEsKSKIyDEG

4.41

-22.02

-17.61
21 yyDDsKSRIyDEG

6.82

-24.4

-17.58
22 yyEEsKSKIyDEG

4.48

-21.82

-17.34
23 yyEDsKSRIyDEG

6.63

-23.81

-17.18
24 yyEEsKMKIyDEG

5.67

-22.63

-16.96
25 yyDDPKSRIyDEG

7.81

-24.58

-16.77
26 yyDEPKSRIyDEG

4.77

-21.49

-16.72
27 yyEDPKSRIyDEG

6.75

-23.39

-16.64
28 yyEEPKSRIyDEG

5.27

-21.62

-16.35
29 yyEEEKSRIyDEG

4.66

-20.59

-15.93
30 yyDEEKSRIyDEG

4.34

-20.26

-15.92

 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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