Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-18.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
G
 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 2.124 ΔGbinding -2.068
TOTAL
 0.056
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.569
Van der Waals -3.358 Backbone clash 1.127
Electrostatics 0.210 Helix dipole 0.000
Solvation Polar 3.791 Water bridges -0.052
Solvation Hyd -4.547 Disulfide 0.000
VdW clashes 0.606 Electrost. Kon 0.173
Entropy sc 1.006 Part.cov.bonds 0.000
Entropy mc

2.083

 ΔGstability

14.545
       

Predicted ligand sequences for model [BZZ1-D2_2A28-18.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-D2_2A28-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLHPHRWY 0.0
2 RPPLHPHRYY 0.09
3 RKPLHPHRWY 0.16
4 RPPIHPHRWY 0.19
5 RPPLHPHRWW 0.2
6 RPFLHPHRWY 0.23
7 RPRLHPHRWY 0.24
8 RKPLHPHRYY 0.26
9 RPPIHPHRYY 0.28
10 RPPLHPHRYW 0.3
11 RPFLHPHRYY 0.32
12 RPRLHPHRYY 0.34
13 RKPIHPHRWY 0.35
14 RKPLHPHRWW 0.37
15 RPPIHPHRWW 0.39
16 RKFLHPHRWY 0.39
17 RPPLHPNRWY 0.39
18 RPPMHPHRWY 0.4
19 RKRLHPHRWY 0.41
20 RPFIHPHRWY 0.42
21 RRPLHPHRWY 0.42
22 RPPLHPRRWY 0.42
23 RPRIHPHRWY 0.43
24 RPFLHPHRWW 0.43
25 RPPLHPHRWF 0.44
26 RKPIHPHRYY 0.44
27 RPRLHPHRWW 0.45
28 RKPLHPHRYW 0.46
29 RPPLRPHRWY 0.46
30 RPPIHPHRYW 0.48
31 RKFLHPHRYY 0.48
32 RPPLHPNRYY 0.48
33 RPPMHPHRYY 0.49
34 RKRLHPHRYY 0.5
35 RPFIHPHRYY 0.51
36 RPPLHPRRYY 0.52
37 RRPLHPHRYY 0.52
38 RPFLHPHRYW 0.52
39 RPRIHPHRYY 0.53
40 RPPLHPHRYF 0.53
41 RPRLHPHRYW 0.54
42 RKPLHPNRWY 0.55
43 RKPIHPHRWW 0.55
44 RKPMHPHRWY 0.56
45 RPPLRPHRYY 0.56
46 RPPIHPNRWY 0.57
47 RKFIHPHRWY 0.58
48 RKPLHPRRWY 0.59
49 RKFLHPHRWW 0.59
50 RKRIHPHRWY 0.59
51 RPPLHPNRWW 0.59
52 RKPLHPHRWF 0.6
53 RPPMHPHRWW 0.6
54 RRPIHPHRWY 0.61
55 RKRLHPHRWW 0.61
56 RPPIHPRRWY 0.61
57 RPFLHPNRWY 0.61
58 RPFIHPHRWW 0.62
59 RRPLHPHRWW 0.63
60 RPPLHPRRWW 0.63
61 RPPIHPHRWF 0.63
62 RKPLRPHRWY 0.63
63 RPRLHPNRWY 0.63
64 RPFMHPHRWY 0.63
65 RKPLHPNRYY 0.64
66 RPRIHPHRWW 0.64
67 RPRMHPHRWY 0.64
68 RPPIRPHRWY 0.65
69 RPFLHPRRWY 0.65
70 RRFLHPHRWY 0.65
71 RKPIHPHRYW 0.65
72 RKPMHPHRYY 0.65
73 RKFIHPHRYY 0.67
74 RPRLHPRRWY 0.67
75 RPPLRPHRWW 0.67
76 RPPIHPNRYY 0.67
77 RPFLHPHRWF 0.67
78 RRRLHPHRWY 0.67
79 RKPLHPRRYY 0.68
80 RPRLHPHRWF 0.68
81 RPPLHPNRYW 0.68
82 RKFLHPHRYW 0.69
83 RPFLRPHRWY 0.69
84 RKRIHPHRYY 0.69
85 RPPMHPHRYW 0.69
86 RKPLHPHRYF 0.7
87 RRPIHPHRYY 0.7
88 RKRLHPHRYW 0.7
89 RPPIHPRRYY 0.7
90 RPFLHPNRYY 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRLHPHRWY

7.68

-11.9

-4.22
2 RPPLHPHRYY

7.69

-11.3

-3.61
3 RPPIHPHRWW

7.56

-10.9

-3.34
4 RPPIHPHRWY

7.5

-10.79

-3.29
5 RPRIHPHRWY

7.68

-10.85

-3.17
6 RPPLHPHRWF

7.6

-10.74

-3.14
7 RPPLHPHRWW

7.73

-10.84

-3.11
8 RPPIHPHRYW

7.95

-11.0

-3.05
9 RPFIHPHRWY

7.34

-10.31

-2.97
10 RPPIHPHRYY

7.89

-10.82

-2.93
11 RKFLHPHRWY

7.93

-10.86

-2.93
12 RPPLHPNRWY

7.57

-10.49

-2.92
13 RPPLHPHRWY

7.55

-10.46

-2.91
14 RPRLHPHRYY

7.9

-10.79

-2.89
15 RPRLHPHRWW

7.41

-10.22

-2.81
16 RPFLHPHRWW

7.67

-10.43

-2.76
17 RPPMHPHRWY

7.52

-10.25

-2.73
18 RRPLHPHRWY

7.83

-10.44

-2.61
19 RPFLHPHRWY

7.65

-10.16

-2.51
20 RKPIHPHRYY

7.26

-9.72

-2.46
21 RKPLHPHRYW

8.17

-10.56

-2.39
22 RPPLHPHRYW

7.96

-10.32

-2.36
23 RKRLHPHRWY

7.51

-9.5

-1.99
24 RKPLHPHRYY

8.04

-9.9

-1.86
25 RKPIHPHRWY

7.85

-9.38

-1.53
26 RPFLHPHRYY

8.94

-10.37

-1.43
27 RKPLHPHRWY

7.77

-9.03

-1.26
28 RPPLHPRRWY

7.57

-8.22

-0.65
29 RPPLRPHRWY

10.77

-10.57

0.2
30 RKPLHPHRWW

7.53

-7.02

0.51

 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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