Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala 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 6.653 ΔGbinding -1.711
TOTAL
 4.942
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.624
Van der Waals -3.380 Backbone clash 0.036
Electrostatics 0.334 Helix dipole 0.000
Solvation Polar 2.816 Water bridges 0.000
Solvation Hyd -5.306 Disulfide 0.000
VdW clashes 0.060 Electrost. Kon 0.454
Entropy sc 0.199 Part.cov.bonds 0.000
Entropy mc

2.488

 ΔGstability

78.737
       

Predicted ligand sequences for model [BBC1_1FYN-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPIEYMY 0.0
2 RRPIEYMY 0.02
3 FRWIEYMY 0.03
4 FRFIEYMY 0.04
5 RRWIEYMY 0.05
6 RRFIEYMY 0.06
7 FRPIEYRY 0.07
8 RRPIEYRY 0.09
9 FRPIIYMY 0.1
10 FRWIEYRY 0.11
11 FRFIEYRY 0.11
12 RRPIIYMY 0.12
13 RRWIEYRY 0.13
14 RRFIEYRY 0.13
15 FRFIIYMY 0.14
16 FRWIIYMY 0.14
17 RRWIIYMY 0.15
18 LRPIEYMY 0.15
19 RRFIIYMY 0.16
20 FRPIIYRY 0.18
21 LRFIEYMY 0.19
22 LRWIEYMY 0.19
23 FRPIEYMK 0.2
24 RRPIIYRY 0.2
25 RRPIEYMK 0.21
26 FRWIIYRY 0.21
27 FRFIIYRY 0.22
28 FRWIEYMK 0.23
29 LRPIEYRY 0.23
30 RRWIIYRY 0.23
31 FRPIEYLY 0.24
32 RRFIIYRY 0.24
33 FRFIEYMK 0.24
34 RRWIEYMK 0.25
35 FPPIEYMY 0.25
36 RRFIEYMK 0.25
37 RRPIEYLY 0.26
38 LRPIIYMY 0.26
39 LRWIEYRY 0.26
40 RPPIEYMY 0.27
41 FRWIEYLY 0.27
42 FRPIEYRK 0.27
43 LRFIEYRY 0.27
44 FPWIEYMY 0.28
45 FRFIEYLY 0.28
46 RRPIEYRK 0.29
47 FPFIEYMY 0.29
48 RRWIEYLY 0.29
49 LRWIIYMY 0.29
50 FRPIIYMK 0.3
51 RRFIEYLY 0.3
52 FRWIEYRK 0.3
53 LRFIIYMY 0.3
54 RPWIEYMY 0.3
55 FRFIEYRK 0.31
56 RPFIEYMY 0.31
57 RRWIEYRK 0.32
58 RRPIIYMK 0.32
59 FRWIIYMK 0.33
60 FPPIEYRY 0.33
61 RRFIEYRK 0.33
62 LRPIIYRY 0.33
63 FRPIIYLY 0.34
64 FRFIIYMK 0.34
65 RPPIEYRY 0.34
66 RRWIIYMK 0.35
67 LRPIEYMK 0.35
68 FPPIIYMY 0.35
69 FPFIEYRY 0.36
70 FPWIEYRY 0.36
71 RRPIIYLY 0.36
72 RRFIIYMK 0.36
73 RPPIIYMY 0.37
74 LRWIIYRY 0.37
75 LRFIIYRY 0.37
76 RPWIEYRY 0.38
77 FRPIIYRK 0.38
78 LRWIEYMK 0.38
79 FRWIIYLY 0.38
80 FRFIIYLY 0.38
81 RPFIEYRY 0.38
82 FPWIIYMY 0.39
83 FPFIIYMY 0.39
84 LRFIEYMK 0.39
85 FRPIPYMY 0.39
86 RRPIIYRK 0.39
87 RRFIIYLY 0.4
88 LPPIEYMY 0.4
89 RRPIPYMY 0.4
90 LRPIEYLY 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRWIIYRY

4.64

-9.88

-5.24
2 FRPIEYRY

3.28

-8.31

-5.03
3 RRWIIYRY

5.43

-10.37

-4.94
4 FRWIEYRY

4.12

-8.76

-4.64
5 FRFIIYRY

5.54

-10.11

-4.57
6 RRPIIYRY

5.56

-10.07

-4.51
7 RRPIEYRY

4.08

-8.22

-4.14
8 LRPIEYRY

4.29

-8.34

-4.05
9 RRFIEYRY

4.37

-7.95

-3.58
10 RRPIIYMY

6.64

-10.16

-3.52
11 RRWIIYMY

6.72

-10.05

-3.33
12 FRFIEYRY

4.47

-7.8

-3.33
13 FRFIIYMY

6.91

-10.2

-3.29
14 RRWIEYRY

4.43

-7.71

-3.28
15 FRWIEYMK

6.82

-9.83

-3.01
16 RRFIIYMY

6.92

-9.8

-2.88
17 RRPIEYMK

6.6

-9.36

-2.76
18 FRPIIYRY

7.51

-10.22

-2.71
19 FRWIIYMY

7.33

-9.95

-2.62
20 FRPIEYMK

7.22

-9.68

-2.46
21 FRPIIYMY

8.0

-10.37

-2.37
22 LRPIEYMY

5.92

-8.28

-2.36
23 FRPIEYMY

6.25

-8.45

-2.2
24 LRFIEYMY

6.09

-8.19

-2.1
25 RRWIEYMY

6.02

-8.03

-2.01
26 RRFIEYMY

6.26

-8.2

-1.94
27 RRPIEYMY

6.59

-8.45

-1.86
28 LRWIEYMY

5.84

-7.3

-1.46
29 FRWIEYMY

6.96

-8.11

-1.15
30 FRFIEYMY

7.54

-8.08

-0.54

 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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