Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-5.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    

(Help)

Intraclash 1.507 ΔGbinding -0.698
TOTAL
 0.809
Backbone Hb -0.825 Cis_bond 0.000
Sidechain Hb -0.825 Torsional clash 1.509
Van der Waals -6.079 Backbone clash 0.053
Electrostatics -1.023 Helix dipole 0.000
Solvation Polar 6.617 Water bridges -0.033
Solvation Hyd -9.128 Disulfide 0.000
VdW clashes 6.579 Electrost. Kon -1.046
Entropy sc 0.945 Part.cov.bonds 0.000
Entropy mc

2.612

 ΔGstability

16.313
       

Predicted ligand sequences for model [BBC1_1ZUK2-5.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).
 
  BBC1_1ZUK2-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 HMQHKFPPHP 0.0
2 HMQHHFPPHP 0.04
3 HLQHKFPPHP 0.06
4 QMQHKFPPHP 0.1
5 HLQHHFPPHP 0.1
6 HMRHKFPPHP 0.11
7 HMQHKFPHHP 0.12
8 HMQHKMPPHP 0.13
9 QMQHHFPPHP 0.14
10 HMRHHFPPHP 0.15
11 QLQHKFPPHP 0.15
12 HLRHKFPPHP 0.16
13 HMQHHFPHHP 0.16
14 HMQHHMPPHP 0.17
15 HLQHKFPHHP 0.17
16 HMYHKFPPHP 0.18
17 HLQHKMPPHP 0.19
18 QMRHKFPPHP 0.2
19 QLQHHFPPHP 0.2
20 QMQHKFPHHP 0.21
21 HLQHHFPHHP 0.21
22 HLRHHFPPHP 0.21
23 HMRHKFPHHP 0.22
24 HMQKKFPPHP 0.22
25 HMQHKFPDHP 0.22
26 HMYHHFPPHP 0.22
27 QMQHKMPPHP 0.23
28 HLQHHMPPHP 0.23
29 HMQHLFPPHP 0.23
30 HMRHKMPPHP 0.24
31 HLYHKFPPHP 0.24
32 HMQHKFPPSP 0.24
33 RMQHKFPPHP 0.25
34 QMRHHFPPHP 0.25
35 HMQHKMPHHP 0.25
36 HMRHHFPHHP 0.26
37 QLRHKFPPHP 0.26
38 HMQKHFPPHP 0.26
39 HMQHHFPDHP 0.26
40 QMQHHFPHHP 0.26
41 QLQHKFPHHP 0.27
42 QMQHHMPPHP 0.27
43 HLRHKFPHHP 0.28
44 HMRHHMPPHP 0.28
45 HLQHKFPDHP 0.28
46 HLQHLFPPHP 0.28
47 QMYHKFPPHP 0.28
48 HLQKKFPPHP 0.28
49 HLYHHFPPHP 0.28
50 HMQHHFPPSP 0.28
51 QLQHKMPPHP 0.29
52 RMQHHFPPHP 0.29
53 HMYHKFPHHP 0.29
54 HMQHHMPHHP 0.29
55 HLQHKFPPSP 0.29
56 HLRHKMPPHP 0.29
57 QLRHHFPPHP 0.3
58 RLQHKFPPHP 0.3
59 HLQHKMPHHP 0.3
60 HMYHKMPPHP 0.31
61 QLQHHFPHHP 0.31
62 QMQKKFPPHP 0.32
63 QMQHKFPDHP 0.32
64 HLRHHFPHHP 0.32
65 HLQHHFPDHP 0.32
66 HLQKHFPPHP 0.32
67 QMYHHFPPHP 0.32
68 QMRHKFPHHP 0.32
69 HMRHLFPPHP 0.33
70 QMQHLFPPHP 0.33
71 HMRKKFPPHP 0.33
72 QLYHKFPPHP 0.33
73 HMQHKRPPHP 0.33
74 QLQHHMPPHP 0.33
75 HMRHKFPDHP 0.33
76 HLRHHMPPHP 0.34
77 HMQHLFPHHP 0.34
78 HMYHHFPHHP 0.34
79 QMRHKMPPHP 0.34
80 QMQHKFPPSP 0.34
81 QMQHKMPHHP 0.34
82 HLQHHFPPSP 0.34
83 HMQKKFPHHP 0.34
84 HMQHKFRPHP 0.34
85 HMRHKFPPSP 0.34
86 HMQKKMPPHP 0.35
87 RMRHKFPPHP 0.35
88 HMQHKMPDHP 0.35
89 HMQHKFPHSP 0.35
90 HMYHHMPPHP 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HMRHKMPPHP

1.96

-12.96

-11.0
2 HMQHHMPPHP

2.91

-11.75

-8.84
3 HLQHKMPPHP

2.86

-11.35

-8.49
4 HMQHKFPDHP

2.67

-10.64

-7.97
5 HMRHKFPHHP

3.82

-11.57

-7.75
6 HLQHHMPPHP

3.03

-10.72

-7.69
7 HMQKKFPPHP

2.88

-10.55

-7.67
8 HMQHKMPPHP

3.31

-10.74

-7.43
9 HMRHKFPPHP

3.72

-11.06

-7.34
10 HLRHHFPPHP

3.86

-11.17

-7.31
11 QMQHKMPPHP

3.09

-10.16

-7.07
12 HLQHKFPPHP

4.35

-11.29

-6.94
13 HMRHHFPPHP

3.74

-10.62

-6.88
14 HMQHHFPHHP

4.19

-10.94

-6.75
15 HMYHKFPPHP

5.41

-12.08

-6.67
16 HMQHKFPPHP

4.79

-11.39

-6.6
17 HLQHHFPPHP

3.98

-10.49

-6.51
18 HLRHKFPPHP

4.86

-11.36

-6.5
19 HMYHHFPPHP

3.29

-9.76

-6.47
20 HMQHKFPHHP

5.15

-11.57

-6.42
21 HLQHHFPHHP

4.04

-10.42

-6.38
22 HLQHKFPHHP

4.83

-10.85

-6.02
23 QMRHKFPPHP

4.28

-9.8

-5.52
24 QMQHKFPPHP

3.85

-9.26

-5.41
25 HMQHHFPPHP

5.32

-10.62

-5.3
26 QLQHHFPPHP

4.27

-8.98

-4.71
27 QLQHKFPPHP

4.72

-8.83

-4.11
28 HMQHLFPPHP

3.28

-6.75

-3.47
29 QMQHKFPHHP

5.66

-8.47

-2.81
30 QMQHHFPPHP

5.58

-8.3

-2.72

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER