Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-4.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 10.852 ΔGbinding -1.895
TOTAL
 8.957
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.163
Van der Waals -5.784 Backbone clash 0.000
Electrostatics -0.335 Helix dipole 0.000
Solvation Polar 6.905 Water bridges -0.170
Solvation Hyd -7.653 Disulfide 0.000
VdW clashes 4.269 Electrost. Kon -0.407
Entropy sc 1.254 Part.cov.bonds 0.000
Entropy mc

1.913

 ΔGstability

37.577
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-4.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_1ZUU-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKPRRRRPRK 0.0
2 MKPRRRRPRH 0.05
3 QKPRRRRPRK 0.07
4 MKPRRRRPRP 0.07
5 MKPRRRRERK 0.09
6 MKPRRRRPKK 0.1
7 MKPRRRRDRK 0.1
8 QKPRRRRPRH 0.12
9 QKPRRRRPRP 0.14
10 MKPRRRRERH 0.14
11 MKPRRRRPKH 0.15
12 MKPRRRRERP 0.16
13 QKPRRRRERK 0.16
14 MKPRRRRDRH 0.16
15 QKPRRRRDRK 0.17
16 MKPRRRRPKP 0.17
17 QKPRRRRPKK 0.17
18 MKPRRRRDRP 0.18
19 MKPRRRREKK 0.19
20 MKPRRRRDKK 0.2
21 QKPRRRRERH 0.21
22 QKPRRRRDRH 0.22
23 QKPRRRRPKH 0.22
24 MKPRIRRPRK 0.22
25 MRPRRRRPRK 0.23
26 QKPRRRRERP 0.23
27 MKPRRRREKH 0.24
28 QKPRRRRDRP 0.24
29 QKPRRRRPKP 0.24
30 MKPRRRRPQK 0.26
31 QKPRRRREKK 0.26
32 MKPRRRRDKH 0.26
33 MKPRRRREKP 0.27
34 MKPRKRRPRK 0.27
35 QKPRRRRDKK 0.27
36 MKPRRRRDKP 0.28
37 MKPRIRRPRH 0.28
38 QKPRIRRPRK 0.29
39 MRPRRRRPRH 0.29
40 QRPRRRRPRK 0.3
41 HKPRRRRPRK 0.3
42 MKPRIRRPRP 0.3
43 MKPRRRRPQH 0.31
44 QKPRRRREKH 0.31
45 MKPRIRRERK 0.31
46 MRPRRRRPRP 0.31
47 MKPRIRRPKK 0.32
48 MKPRKRRPRH 0.32
49 QKPRRRRDKH 0.32
50 MRPRRRRERK 0.32
51 QKPRRRRPQK 0.32
52 MKPRRRRPQP 0.33
53 QKPRRRREKP 0.33
54 QKPRKRRPRK 0.33
55 MRPRRRRPKK 0.33
56 MKPRIRRDRK 0.33
57 QKPRIRRPRH 0.34
58 MRPRRRRDRK 0.34
59 MKPRKRRPRP 0.34
60 MKRRRRRPRK 0.35
61 QRPRRRRPRH 0.35
62 MKPRRRREQK 0.35
63 QKPRRRRDKP 0.35
64 HKPRRRRPRH 0.35
65 QKPRIRRPRP 0.36
66 MKPRIRRERH 0.36
67 MKPRKRRERK 0.36
68 MKPRRRRDQK 0.36
69 MKPRKRRPKK 0.37
70 QRPRRRRPRP 0.37
71 MKPRKRRDRK 0.37
72 HKPRRRRPRP 0.37
73 QKPRIRRERK 0.38
74 MKPRIRRPKH 0.38
75 MKKRRRRPRK 0.38
76 MRPRRRRERH 0.38
77 QKPRRRRPQH 0.38
78 MKPRIRRDRH 0.38
79 QKPRKRRPRH 0.39
80 QRPRRRRERK 0.39
81 MKPRIRRERP 0.39
82 MRPRRRRDRH 0.39
83 MRPRRRRPKH 0.39
84 QKPRIRRPKK 0.39
85 QKPRIRRDRK 0.39
86 HKPRRRRERK 0.39
87 HKPRRRRDRK 0.4
88 MKPRIRRPKP 0.4
89 HKPRRRRPKK 0.4
90 MKRRRRRPRH 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 QKPRRRRPRP

6.68

-6.33

0.35
2 QKPRRRRPKP

7.09

-4.85

2.24
3 QKPRRRRDRH

7.14

-3.98

3.16
4 QKPRRRRDRP

7.26

-3.96

3.3
5 MKPRRRRPKK

6.66

-3.29

3.37
6 MKPRRRRPQK

6.85

-3.12

3.73
7 MKPRIRRPRK

6.64

-2.67

3.97
8 MRPRRRRPRK

6.27

-2.2

4.07
9 QKPRRRRERP

7.1

-2.78

4.32
10 MKPRRRRDRP

6.75

-2.39

4.36
11 MKPRRRRPRH

7.13

-2.69

4.44
12 MKPRRRRPKP

7.03

-2.54

4.49
13 QKPRRRRPRK

7.39

-2.81

4.58
14 MKPRRRRERP

7.54

-2.96

4.58
15 MKPRRRRDRK

8.09

-3.36

4.73
16 MKPRRRRPRK

7.51

-2.77

4.74
17 MKPRRRRDRH

6.69

-1.9

4.79
18 MKPRRRREKH

7.29

-2.47

4.82
19 MKPRRRRERK

6.74

-1.89

4.85
20 MKPRRRRPKH

7.22

-2.34

4.88
21 MKPRRRRERH

7.14

-2.11

5.03
22 MKPRRRRPRP

6.55

-1.27

5.28
23 MKPRRRRDKK

6.87

-1.53

5.34
24 MKPRRRREKK

6.74

-1.39

5.35
25 QKPRRRRPKH

6.5

-1.04

5.46
26 QKPRRRRPRH

6.46

-0.43

6.03
27 QKPRRRRERK

7.31

-0.92

6.39
28 QKPRRRRERH

7.2

-0.81

6.39
29 QKPRRRRDRK

7.41

-0.79

6.62
30 QKPRRRRPKK

7.3

0.37

7.67

 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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