Predicted ligand sequences


ADAN-name: 1J4L2.PDB (view again the scoring matrix)

PDB name: [1J4L.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E V E L p Q E L P
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 15.160 ΔGbinding 1.244
TOTAL
 16.404
Backbone Hb -3.188 Cis_bond 0.000
Sidechain Hb -3.688 Torsional clash 2.654
Van der Waals -7.038 Backbone clash 0.154
Electrostatics -1.518 Helix dipole 0.000
Solvation Polar 10.316 Water bridges -0.008
Solvation Hyd -8.141 Disulfide 0.000
VdW clashes 5.551 Electrost. Kon -1.399
Entropy sc 2.408 Part.cov.bonds 0.000
Entropy mc

5.294

 ΔGstability

216.480
       

Predicted ligand sequences for template [1J4L2.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).
 
  1J4L2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDssEyKSK 0.0
2 WDssEyKSK 0.04
3 MDssEyKSK 0.05
4 yDNsEyKSK 0.13
5 yDssEyDSK 0.13
6 WDNsEyKSK 0.17
7 WDssEyDSK 0.18
8 MDNsEyKSK 0.18
9 MDssEyDSK 0.19
10 yDNsEyDSK 0.26
11 yDsEEyKSK 0.26
12 WDsEEyKSK 0.3
13 WDNsEyDSK 0.3
14 MDsEEyKSK 0.31
15 MDNsEyDSK 0.32
16 yDNEEyKSK 0.39
17 yDsEEyDSK 0.39
18 WDNEEyKSK 0.43
19 WDsEEyDSK 0.43
20 yDDsEyKSK 0.44
21 MDNEEyKSK 0.44
22 MDsEEyDSK 0.45
23 yDsWEyKSK 0.46
24 WDDsEyKSK 0.48
25 yDssEyKTK 0.49
26 yDssEyKSQ 0.49
27 yDssEyISK 0.49
28 MDDsEyKSK 0.5
29 WDsWEyKSK 0.51
30 yDNEEyDSK 0.52
31 MDsWEyKSK 0.52
32 WDssEyKTK 0.53
33 WDssEyKSQ 0.53
34 WDssEyISK 0.53
35 MDssEyISK 0.54
36 MDssEyKTK 0.54
37 MDssEyKSQ 0.55
38 WDNEEyDSK 0.56
39 MDNEEyDSK 0.57
40 yDDsEyDSK 0.58
41 yDNWEyKSK 0.59
42 yDsWEyDSK 0.6
43 yDNsEyKTK 0.61
44 yDNsEyISK 0.62
45 yDNsEyKSQ 0.62
46 WDDsEyDSK 0.62
47 yDssEyDTK 0.62
48 WDNWEyKSK 0.63
49 yDssEyDSQ 0.63
50 MDDsEyDSK 0.63
51 WDsWEyDSK 0.64
52 MDsWEyDSK 0.65
53 MDNWEyKSK 0.65
54 WDssEyDTK 0.66
55 WDNsEyISK 0.66
56 WDNsEyKSQ 0.66
57 WDNsEyKTK 0.66
58 MDNsEyISK 0.67
59 MDNsEyKSQ 0.67
60 WDssEyDSQ 0.67
61 MDNsEyKTK 0.67
62 MDssEyDSQ 0.68
63 MDssEyDTK 0.68
64 yDDEEyKSK 0.7
65 yDNWEyDSK 0.72
66 WDDEEyKSK 0.74
67 yDNsEyDSQ 0.75
68 yDNsEyDTK 0.75
69 yDsEEyKSQ 0.75
70 yDsEEyISK 0.75
71 yDsEEyKTK 0.75
72 MDDEEyKSK 0.76
73 WDNWEyDSK 0.77
74 MDNWEyDSK 0.78
75 WDsEEyKSQ 0.79
76 WDsEEyKTK 0.79
77 WDsEEyISK 0.79
78 WDNsEyDSQ 0.79
79 WDNsEyDTK 0.79
80 MDNsEyDTK 0.8
81 MDsEEyKTK 0.8
82 MDsEEyISK 0.8
83 MDsEEyKSQ 0.8
84 MDNsEyDSQ 0.81
85 yDDEEyDSK 0.84
86 yDNEEyISK 0.87
87 yDNEEyKTK 0.87
88 yDNEEyKSQ 0.88
89 yDsEEyDSQ 0.88
90 WDDEEyDSK 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 yDsEEyKSK

5.31

-15.1

-9.79
2 MDNEEyKSK

4.99

-14.36

-9.37
3 yDDsEyKSK

5.05

-12.44

-7.39
4 WDsWEyKSK

6.23

-13.06

-6.83
5 WDssEyKSK

5.12

-11.86

-6.74
6 yDssEyKSK

5.16

-11.78

-6.62
7 MDssEyKSK

5.16

-11.5

-6.34
8 yDNEEyDSK

4.87

-11.04

-6.17
9 MDNsEyKSK

4.99

-11.03

-6.04
10 WDsEEyKSK

5.55

-11.57

-6.02
11 WDNsEyDSK

5.39

-11.32

-5.93
12 yDssEyKSQ

5.63

-11.53

-5.9
13 MDNsEyDSK

4.95

-10.72

-5.77
14 yDNsEyDSK

4.95

-10.72

-5.77
15 WDDsEyKSK

5.15

-10.91

-5.76
16 MDssEyDSK

5.2

-10.92

-5.72
17 MDsEEyDSK

4.87

-10.49

-5.62
18 yDssEyDSK

5.48

-10.94

-5.46
19 yDNsEyKSK

5.08

-10.38

-5.3
20 MDDsEyKSK

5.1

-10.33

-5.23
21 MDsEEyKSK

4.89

-9.98

-5.09
22 yDsEEyDSK

5.21

-10.29

-5.08
23 yDNEEyKSK

4.94

-9.78

-4.84
24 yDssEyKTK

5.2

-9.67

-4.47
25 yDsWEyKSK

5.83

-10.04

-4.21
26 yDssEyISK

5.51

-9.58

-4.07
27 WDNEEyKSK

5.1

-8.88

-3.78
28 WDNsEyKSK

4.91

-8.36

-3.45
29 WDsEEyDSK

5.33

-8.59

-3.26
30 WDssEyDSK

5.38

-8.33

-2.95

 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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