Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-1.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 10
poly-Ala 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 8.628 ΔGbinding -1.742
TOTAL
 6.886
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.314
Van der Waals -4.210 Backbone clash 0.089
Electrostatics -0.211 Helix dipole 0.000
Solvation Polar 3.965 Water bridges -0.066
Solvation Hyd -6.280 Disulfide 0.000
VdW clashes 2.681 Electrost. Kon -0.232
Entropy sc 0.648 Part.cov.bonds 0.000
Entropy mc

1.925

 ΔGstability

58.493
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-1.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).
 
  BEM1-D1_JO8-QCF-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRPPRDRY 0.0
2 RRKRPPRDRY 0.04
3 RRRRPPRRRY 0.05
4 RRKRPPRRRY 0.09
5 RRNRPPRDRY 0.12
6 NRRRPPRDRY 0.14
7 RRRRPPRKRY 0.14
8 RRNRPPRRRY 0.17
9 RRKRPPRKRY 0.18
10 NRKRPPRDRY 0.18
11 RRRRPPRDRW 0.18
12 NRRRPPRRRY 0.19
13 KRRRPPRDRY 0.2
14 RRRRPPRDRF 0.21
15 RRRRGPRDRY 0.23
16 RRKRPPRDRW 0.23
17 NRKRPPRRRY 0.23
18 RRRRPPRRRW 0.23
19 RRKRPPRDRF 0.25
20 KRKRPPRDRY 0.25
21 KRRRPPRRRY 0.25
22 NRNRPPRDRY 0.26
23 RRRRPPRRRF 0.26
24 RRNRPPRKRY 0.26
25 NRRRPPRKRY 0.28
26 RRRRGPRRRY 0.28
27 RRKRPPRRRW 0.28
28 RRKRGPRDRY 0.28
29 RRKRPPRRRF 0.3
30 KRKRPPRRRY 0.3
31 RRRRSPRDRY 0.31
32 NRNRPPRRRY 0.31
33 RRNRPPRDRW 0.31
34 RRRRPPRKRW 0.32
35 NRKRPPRKRY 0.32
36 RRKRGPRRRY 0.32
37 NRRRPPRDRW 0.33
38 RRNRPPRDRF 0.33
39 KRNRPPRDRY 0.33
40 KRRRPPRKRY 0.34
41 RRRRPPRKRF 0.34
42 NRRRPPRDRF 0.35
43 RRNRGPRDRY 0.35
44 RRKRSPRDRY 0.35
45 RRKRPPRKRW 0.36
46 RRNRPPRRRW 0.36
47 RRRRSPRRRY 0.36
48 RRRRGPRKRY 0.37
49 NRKRPPRDRW 0.37
50 RRKRPPRKRF 0.38
51 KRKRPPRKRY 0.38
52 RRNRPPRRRF 0.38
53 NRRRPPRRRW 0.38
54 KRNRPPRRRY 0.38
55 NRRRGPRDRY 0.38
56 NRKRPPRDRF 0.39
57 KRRRPPRDRW 0.39
58 RRNRGPRRRY 0.4
59 NRNRPPRKRY 0.4
60 NRRRPPRRRF 0.4
61 RRKRSPRRRY 0.4
62 RRKRGPRKRY 0.41
63 KRRRPPRDRF 0.41
64 RRRRGPRDRW 0.42
65 NRRRGPRRRY 0.42
66 NRKRGPRDRY 0.42
67 NRKRPPRRRW 0.42
68 KRKRPPRDRW 0.43
69 RRNRSPRDRY 0.43
70 RRRRGPRDRF 0.44
71 RRRRSPRKRY 0.44
72 KRRRPPRRRW 0.44
73 NRKRPPRRRF 0.44
74 RRNRPPRKRW 0.44
75 KRRRGPRDRY 0.44
76 KRKRPPRDRF 0.45
77 NRNRPPRDRW 0.45
78 NRRRSPRDRY 0.45
79 NRRRPPRKRW 0.46
80 KRRRPPRRRF 0.46
81 RRNRPPRKRF 0.46
82 RRKRGPRDRW 0.46
83 KRNRPPRKRY 0.46
84 RRRRGPRRRW 0.47
85 NRNRPPRDRF 0.47
86 NRKRGPRRRY 0.47
87 NRRRPPRKRF 0.48
88 KRKRGPRDRY 0.48
89 RRNRSPRRRY 0.48
90 RRKRGPRDRF 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRRPPRRRY

7.7

-13.16

-5.46
2 RRKRPPRDRY

8.27

-12.61

-4.34
3 RRKRPPRRRW

8.4

-12.01

-3.61
4 RRRRPPRDRW

8.94

-12.48

-3.54
5 KRRRPPRRRY

8.24

-11.77

-3.53
6 NRKRPPRRRY

8.08

-10.92

-2.84
7 RRNRPPRRRY

8.69

-11.4

-2.71
8 RRRRPPRKRY

9.31

-11.77

-2.46
9 RRRRPPRDRF

8.27

-10.43

-2.16
10 NRRRPPRDRY

8.28

-10.2

-1.92
11 KRKRPPRRRY

9.24

-11.15

-1.91
12 RRRRPPRDRY

8.72

-10.6

-1.88
13 RRNRPPRDRY

8.55

-10.31

-1.76
14 RRRRGPRDRY

8.53

-9.85

-1.32
15 RRKRPPRDRW

8.92

-10.11

-1.19
16 RRRRGPRRRY

7.13

-8.25

-1.12
17 RRKRGPRDRY

8.6

-9.62

-1.02
18 RRKRPPRRRF

9.63

-10.57

-0.94
19 NRNRPPRDRY

7.92

-8.79

-0.87
20 NRRRPPRRRY

8.01

-8.86

-0.85
21 RRRRPPRRRW

9.16

-9.91

-0.75
22 RRRRPPRRRF

8.79

-9.28

-0.49
23 RRKRPPRKRY

7.59

-8.03

-0.44
24 RRKRPPRDRF

8.83

-9.18

-0.35
25 RRKRPPRRRY

10.84

-11.01

-0.17
26 KRKRPPRDRY

9.37

-9.36

0.01
27 RRNRPPRKRY

9.29

-9.13

0.16
28 NRRRPPRKRY

7.8

-7.62

0.18
29 NRKRPPRDRY

8.46

-7.84

0.62
30 KRRRPPRDRY

10.09

-9.07

1.02

 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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