Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-QCF-15.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 4.194 ΔGbinding -2.383
TOTAL
 1.811
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.279
Van der Waals -3.274 Backbone clash 0.154
Electrostatics 0.005 Helix dipole 0.000
Solvation Polar 3.562 Water bridges 0.000
Solvation Hyd -4.713 Disulfide 0.000
VdW clashes 0.277 Electrost. Kon -0.048
Entropy sc 0.727 Part.cov.bonds 0.000
Entropy mc

3.353

 ΔGstability

49.447
       

Predicted ligand sequences for model [BEM1-D1_JO8-QCF-15.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-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPWRRRKRR 0.0
2 YPFRRRKRR 0.01
3 YPPRRRKRR 0.08
4 YFWRRRKRR 0.12
5 YPWRRRRRR 0.13
6 YFFRRRKRR 0.13
7 YPFRRRLRR 0.14
8 RPWRRRKRR 0.14
9 YPWRRRLRR 0.14
10 YPFRRRRRR 0.14
11 RPFRRRKRR 0.15
12 YPWMRRKRR 0.16
13 YPFMRRKRR 0.17
14 YPWRRRKKR 0.19
15 YFPRRRKRR 0.2
16 YPFRRRKKR 0.2
17 YPPRRRRRR 0.21
18 YPPRRRLRR 0.22
19 RPPRRRKRR 0.23
20 YPPMRRKRR 0.24
21 YFWRRRRRR 0.25
22 FPWRRRKRR 0.25
23 FPFRRRKRR 0.26
24 RFWRRRKRR 0.26
25 YFFRRRRRR 0.26
26 YFWRRRLRR 0.26
27 YFFRRRLRR 0.26
28 RPWRRRRRR 0.27
29 RFFRRRKRR 0.27
30 YFWMRRKRR 0.28
31 YPPRRRKKR 0.28
32 RPFRRRRRR 0.28
33 YPWRRRKIR 0.28
34 RPWRRRLRR 0.28
35 YFFMRRKRR 0.29
36 RPFRRRLRR 0.29
37 YPWMRRLRR 0.29
38 YPFRRRKIR 0.29
39 YPWMRRRRR 0.29
40 YPFMRRRRR 0.3
41 RPWMRRKRR 0.3
42 YPFMRRLRR 0.3
43 YFWRRRKKR 0.31
44 RPFMRRKRR 0.31
45 YFFRRRKKR 0.32
46 YPWRRRRKR 0.32
47 YPFRRRLKR 0.33
48 YPFRRRRKR 0.33
49 RPWRRRKKR 0.33
50 FPPRRRKRR 0.33
51 YPWRRRLKR 0.33
52 YFPRRRRRR 0.33
53 YFPRRRLRR 0.34
54 RPFRRRKKR 0.34
55 YPWMRRKKR 0.35
56 RFPRRRKRR 0.35
57 YFPMRRKRR 0.36
58 YPFMRRKKR 0.36
59 YPPRRRKIR 0.36
60 RPPRRRRRR 0.36
61 RPPRRRLRR 0.36
62 YPPMRRRRR 0.37
63 FFWRRRKRR 0.37
64 YPPMRRLRR 0.38
65 RPPMRRKRR 0.38
66 FPWRRRRRR 0.38
67 FFFRRRKRR 0.38
68 FPWRRRLRR 0.38
69 FPFRRRRRR 0.39
70 RFWRRRRRR 0.39
71 FPFRRRLRR 0.39
72 YFWRRRKIR 0.4
73 YFPRRRKKR 0.4
74 RFFRRRRRR 0.4
75 RFWRRRLRR 0.4
76 FPWMRRKRR 0.41
77 YPPRRRRKR 0.41
78 YFWMRRRRR 0.41
79 YFWMRRLRR 0.41
80 YPWRRRRIR 0.41
81 YFFRRRKIR 0.41
82 YPPRRRLKR 0.41
83 FPFMRRKRR 0.41
84 RFFRRRLRR 0.41
85 RPPRRRKKR 0.42
86 YPWRRRLIR 0.42
87 YFFMRRLRR 0.42
88 RFWMRRKRR 0.42
89 YPFRRRLIR 0.42
90 YFFMRRRRR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPPRRRLRR

4.91

-11.96

-7.05
2 YFWRRRLRR

4.28

-10.83

-6.55
3 YPWMRRKRR

4.8

-10.55

-5.75
4 YPWRRRKRR

4.63

-10.34

-5.71
5 YPPRRRRRR

4.5

-10.17

-5.67
6 RPPRRRKRR

4.12

-9.77

-5.65
7 YPWRRRKKR

4.2

-9.75

-5.55
8 YPFRRRRRR

4.14

-9.29

-5.15
9 YPFRRRKRR

4.69

-9.81

-5.12
10 RPFRRRKRR

4.9

-10.01

-5.11
11 FPWRRRKRR

4.3

-8.96

-4.66
12 YPFRRRKKR

4.64

-9.11

-4.47
13 FPFRRRKRR

4.35

-8.68

-4.33
14 YPFRRRLRR

5.49

-9.69

-4.2
15 YPPMRRKRR

5.35

-9.53

-4.18
16 YFFRRRKRR

5.38

-9.33

-3.95
17 RPWRRRRRR

4.99

-8.67

-3.68
18 YPPRRRKRR

4.38

-8.05

-3.67
19 YPWRRRRRR

4.0

-7.61

-3.61
20 YFWMRRKRR

4.62

-8.19

-3.57
21 RPWRRRKRR

4.71

-8.24

-3.53
22 YFWRRRKRR

5.15

-8.57

-3.42
23 YFPRRRKRR

4.59

-7.87

-3.28
24 YFFRRRRRR

4.8

-8.02

-3.22
25 YPFMRRKRR

4.21

-7.41

-3.2
26 YPWRRRLRR

5.61

-8.75

-3.14
27 YFWRRRRRR

4.83

-7.7

-2.87
28 RFWRRRKRR

5.17

-7.54

-2.37
29 RFFRRRKRR

4.3

-6.57

-2.27
30 YFFRRRLRR

5.06

-6.92

-1.86

 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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