Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-26.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

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 7.716 ΔGbinding -2.119
TOTAL
 5.597
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.372
Van der Waals -3.883 Backbone clash -0.000
Electrostatics 0.365 Helix dipole 0.000
Solvation Polar 3.203 Water bridges -0.011
Solvation Hyd -6.081 Disulfide 0.000
VdW clashes 0.067 Electrost. Kon 0.481
Entropy sc 0.263 Part.cov.bonds 0.000
Entropy mc

3.106

 ΔGstability

88.070
       

Predicted ligand sequences for model [BBC1_1FYN-26.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).
 
  BBC1_1FYN-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 IDMDRIMYR 0.0
2 IDMDRIMYF 0.02
3 IDMDKIMYR 0.06
4 IDMPRIMYR 0.07
5 IDMDKIMYF 0.08
6 IDMPRIMYF 0.09
7 IDPDRIMYR 0.1
8 IDMPKIMYR 0.12
9 IDPDRIMYF 0.12
10 IEMDRIMYR 0.13
11 IDMPKIMYF 0.14
12 IEMDRIMYF 0.15
13 MDMDRIMYR 0.16
14 IDPDKIMYR 0.16
15 IDPPRIMYR 0.17
16 KDMDRIMYR 0.18
17 MDMDRIMYF 0.18
18 IDPDKIMYF 0.18
19 IDPPRIMYF 0.19
20 IEMDKIMYR 0.19
21 IDMDRIMYW 0.2
22 KDMDRIMYF 0.2
23 IEMPRIMYR 0.2
24 MDMDKIMYR 0.21
25 IEMDKIMYF 0.21
26 IDPPKIMYR 0.22
27 MDMPRIMYR 0.22
28 IEMPRIMYF 0.22
29 MDMDKIMYF 0.23
30 IEPDRIMYR 0.23
31 IDPPKIMYF 0.24
32 IDMDHIMYR 0.24
33 KDMDKIMYR 0.24
34 MDMPRIMYF 0.24
35 KDMPRIMYR 0.25
36 IEMPKIMYR 0.25
37 IEPDRIMYF 0.25
38 IDMDKIMYW 0.25
39 IRMDRIMYR 0.26
40 IDMDHIMYF 0.26
41 KDMDKIMYF 0.26
42 MDPDRIMYR 0.26
43 IDMPRIMYW 0.26
44 KDMPRIMYF 0.27
45 IEMPKIMYF 0.27
46 MDPDRIMYF 0.28
47 MDMPKIMYR 0.28
48 KDPDRIMYR 0.28
49 IRMDRIMYF 0.29
50 MEMDRIMYR 0.29
51 IEPDKIMYR 0.29
52 IEPPRIMYR 0.3
53 IDPDRIMYW 0.3
54 IDMPHIMYR 0.3
55 KDPDRIMYF 0.3
56 MDMPKIMYF 0.3
57 KDMPKIMYR 0.3
58 IEPDKIMYF 0.31
59 KEMDRIMYR 0.31
60 MEMDRIMYF 0.31
61 MDPDKIMYR 0.31
62 IEPPRIMYF 0.32
63 IRMDKIMYR 0.32
64 IDMPKIMYW 0.32
65 MDPPRIMYR 0.32
66 IDMPHIMYF 0.32
67 KDMPKIMYF 0.32
68 KEMDRIMYF 0.33
69 IRMPRIMYR 0.33
70 IEMDRIMYW 0.33
71 IDPDHIMYR 0.34
72 IRMDKIMYF 0.34
73 MEMDKIMYR 0.34
74 MDPDKIMYF 0.34
75 KDPDKIMYR 0.34
76 MEMPRIMYR 0.35
77 KDPPRIMYR 0.35
78 IRMPRIMYF 0.35
79 MDPPRIMYF 0.35
80 IEPPKIMYR 0.35
81 IDPDKIMYW 0.35
82 IDPPRIMYW 0.36
83 IDPDHIMYF 0.36
84 IRPDRIMYR 0.36
85 MDMDRIMYW 0.36
86 KDPDKIMYF 0.36
87 IEMDHIMYR 0.37
88 KEMDKIMYR 0.37
89 MEMDKIMYF 0.37
90 KDPPRIMYF 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IDMPKIMYR

2.94

-12.1

-9.16
2 IDMPRIMYR

3.07

-11.59

-8.52
3 MDMPRIMYR

3.81

-11.57

-7.76
4 KDMDRIMYR

3.79

-11.39

-7.6
5 MDMDRIMYR

3.07

-10.48

-7.41
6 MDMDKIMYR

4.05

-11.45

-7.4
7 IDPPRIMYR

3.88

-11.22

-7.34
8 IEMDRIMYR

3.99

-11.19

-7.2
9 IDMDRIMYR

3.9

-11.08

-7.18
10 IEMPRIMYR

4.61

-11.79

-7.18
11 IEMDKIMYR

3.87

-10.98

-7.11
12 IDMDKIMYR

3.88

-10.74

-6.86
13 IEPDRIMYR

3.76

-10.5

-6.74
14 IDPPKIMYR

4.01

-10.7

-6.69
15 IDPDKIMYR

3.74

-10.24

-6.5
16 IDPDRIMYR

3.95

-10.13

-6.18
17 IDMPRIMYF

5.58

-11.64

-6.06
18 IEMPRIMYF

6.34

-12.35

-6.01
19 IDPPRIMYF

5.68

-11.02

-5.34
20 IEMDKIMYF

5.96

-11.06

-5.1
21 KDMDRIMYF

6.89

-11.96

-5.07
22 IDMDRIMYF

6.06

-10.95

-4.89
23 IDMPKIMYF

6.35

-10.99

-4.64
24 IDPDRIMYF

5.58

-9.86

-4.28
25 IDMDKIMYF

6.34

-10.59

-4.25
26 IDMDRIMYW

6.18

-10.39

-4.21
27 MDMDRIMYF

6.29

-10.18

-3.89
28 MDMDKIMYF

6.32

-10.08

-3.76
29 IEMDRIMYF

5.33

-8.67

-3.34
30 IDPDKIMYF

5.24

-8.48

-3.24

 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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