Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-27.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
G
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 6.827 ΔGbinding -3.545
TOTAL
 3.282
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.229
Van der Waals -3.910 Backbone clash 0.407
Electrostatics -0.188 Helix dipole 0.000
Solvation Polar 4.789 Water bridges -0.115
Solvation Hyd -4.829 Disulfide 0.000
VdW clashes 0.306 Electrost. Kon -0.228
Entropy sc 0.980 Part.cov.bonds 0.000
Entropy mc

1.972

 ΔGstability

78.671
       

Predicted ligand sequences for model [BZZ1-D1_2A28-27.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).
 
  BZZ1-D1_2A28-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRPRMWR 0.0
2 RRWRPRMWP 0.02
3 RRWRPRMWH 0.07
4 RRWRPPMWR 0.1
5 RRRRPRMWR 0.11
6 RRWRPPMWP 0.12
7 RRRRPRMWP 0.13
8 RRWRPPMWH 0.17
9 RRRRPRMWH 0.17
10 RRPRPRMWR 0.18
11 RRWRPRMRR 0.18
12 RRPRPRMWP 0.2
13 RRWRPRMRP 0.2
14 RRRRPPMWR 0.21
15 RRRRPPMWP 0.23
16 RRWRPDMWR 0.23
17 RRPRPRMWH 0.24
18 RRWRHRMWR 0.25
19 RRWRPDMWP 0.25
20 RRWRPRMRH 0.25
21 RRWRPREWR 0.26
22 RRWRHRMWP 0.27
23 RRRRPPMWH 0.27
24 RRWRPPMRR 0.28
25 RRPRPPMWR 0.28
26 RRWRPREWP 0.28
27 RRRRPRMRR 0.29
28 RRWRPPMRP 0.3
29 RRPRPPMWP 0.3
30 RRWRPDMWH 0.3
31 RRRRPRMRP 0.31
32 RRWRHRMWH 0.32
33 RRWRPREWH 0.33
34 RRRRPDMWR 0.34
35 RRRRPRMRH 0.35
36 RRWRPPMRH 0.35
37 RRWRHPMWR 0.35
38 RRPRPPMWH 0.35
39 RRRRPDMWP 0.36
40 RRPRPRMRR 0.36
41 RRRRHRMWR 0.36
42 RRWRPPEWR 0.36
43 RRRRPREWR 0.37
44 RRWRHPMWP 0.38
45 RRWRKRMWR 0.38
46 RRPRPRMRP 0.38
47 RRRRHRMWP 0.38
48 RRWRPPEWP 0.38
49 RRRRPPMRR 0.39
50 RRRRPREWP 0.39
51 RRRRPDMWH 0.4
52 RRWRKRMWP 0.4
53 RRRRPPMRP 0.41
54 RRPRPDMWR 0.41
55 RRWRPDMRR 0.41
56 RRWRPRPWR 0.41
57 RRWRHPMWH 0.42
58 RRPRPRMRH 0.42
59 RRPRHRMWR 0.43
60 RRPRPDMWP 0.43
61 RRWRPDMRP 0.43
62 RRWRPRPWP 0.43
63 RRRRHRMWH 0.43
64 RRWRHRMRR 0.43
65 RRWRPPEWH 0.43
66 RRPRPREWR 0.44
67 RRWRPRERR 0.44
68 RRRRPREWH 0.44
69 RRPRHRMWP 0.45
70 RRRRPPMRH 0.45
71 RRWRKRMWH 0.45
72 RRWRHRMRP 0.45
73 RRPRPREWP 0.46
74 RRWRPRERP 0.46
75 RRPRPPMRR 0.46
76 RRRRHPMWR 0.46
77 RRPRPDMWH 0.47
78 RRRRPPEWR 0.47
79 RRWRKPMWR 0.48
80 RRWRHDMWR 0.48
81 RRWRPDMRH 0.48
82 RRPRPPMRP 0.48
83 RRWRPRPWH 0.48
84 RRRRHPMWP 0.48
85 RRRRKRMWR 0.48
86 RRWRPDEWR 0.49
87 RRRRPPEWP 0.49
88 RRPRHRMWH 0.5
89 RRWRKPMWP 0.5
90 RRWRHDMWP 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWRPPMWP

5.79

-9.19

-3.4
2 RRWRPRMRR

7.21

-10.23

-3.02
3 RRWRPRMRH

6.89

-9.85

-2.96
4 RRRRPPMWR

6.21

-8.97

-2.76
5 RRRRPPMWH

6.55

-9.3

-2.75
6 RRPRPPMWP

6.58

-9.15

-2.57
7 RRRRPRMWP

6.85

-9.35

-2.5
8 RRPRPRMWH

6.76

-9.22

-2.46
9 RRPRPPMWR

6.71

-9.07

-2.36
10 RRWRPDMWH

6.57

-8.88

-2.31
11 RRWRPRMRP

6.81

-8.97

-2.16
12 RRRRPRMWH

6.57

-8.71

-2.14
13 RRRRPPMWP

6.47

-8.49

-2.02
14 RRWRPREWR

7.11

-9.03

-1.92
15 RRWRPREWP

5.73

-7.64

-1.91
16 RRWRPPMWR

6.32

-8.07

-1.75
17 RRWRPPMRP

6.9

-8.58

-1.68
18 RRWRPPMWH

6.49

-8.15

-1.66
19 RRWRPPMRR

7.58

-8.95

-1.37
20 RRPRPRMWR

6.81

-8.09

-1.28
21 RRWRPDMWR

7.02

-8.2

-1.18
22 RRWRPRMWH

6.47

-7.64

-1.17
23 RRPRPRMWP

6.98

-7.78

-0.8
24 RRWRPRMWP

7.94

-8.53

-0.59
25 RRWRPDMWP

8.08

-8.56

-0.48
26 RRRRPRMRR

7.03

-7.44

-0.41
27 RRWRPRMWR

7.07

-7.44

-0.37
28 RRRRPRMWR

8.05

-7.42

0.63
29 RRWRHRMWR

7.22

-6.17

1.05
30 RRWRHRMWP

7.81

-6.4

1.41

 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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