Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-2.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 10.502 ΔGbinding -1.334
TOTAL
 9.168
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.133
Van der Waals -5.891 Backbone clash 0.053
Electrostatics -0.329 Helix dipole 0.000
Solvation Polar 7.108 Water bridges -0.091
Solvation Hyd -7.750 Disulfide 0.000
VdW clashes 4.179 Electrost. Kon -0.402
Entropy sc 1.244 Part.cov.bonds 0.000
Entropy mc

2.515

 ΔGstability

36.892
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HHQRRPRKAR 0.0
2 HHQRRPRDAR 0.01
3 HHQRRPWKAR 0.01
4 HHQRRPWDAR 0.02
5 HHQRRPRHAR 0.06
6 HHQRRPWHAR 0.07
7 HHQRRPRKAH 0.09
8 HHQRRPRDAH 0.1
9 HHQRRPWKAH 0.1
10 HHQRRPWDAH 0.11
11 HHQRRPRHAH 0.15
12 HHQRRPWHAH 0.15
13 MHQRRPRKAR 0.18
14 MHQRRPRDAR 0.19
15 HHQRRPRKAK 0.19
16 MHQRRPWKAR 0.19
17 HHQRRPRDAK 0.2
18 HHQRRPWKAK 0.2
19 MHQRRPWDAR 0.2
20 HHQRRPYKAR 0.2
21 HHQRRPYDAR 0.21
22 HHQRRPWDAK 0.21
23 HHQRRPRHAK 0.24
24 MHQRRPRHAR 0.24
25 HHQRRPWHAK 0.25
26 MHQRRPWHAR 0.25
27 HHQRRPYHAR 0.26
28 MHQRRPRKAH 0.27
29 MHQRRPRDAH 0.28
30 MHQRRPWKAH 0.28
31 QHQRRPRKAR 0.29
32 MHQRRPWDAH 0.29
33 HHQRRPYKAH 0.29
34 QHQRRPWKAR 0.3
35 HHQRRPYDAH 0.3
36 QHQRRPRDAR 0.3
37 QHQRRPWDAR 0.31
38 HHRRRPRKAR 0.32
39 HHRRRPRDAR 0.33
40 MHQRRPRHAH 0.33
41 HHRRRPWKAR 0.33
42 MHQRRPWHAH 0.34
43 HHKRRPRKAR 0.34
44 HHRRRPWDAR 0.34
45 HHKRRPWKAR 0.35
46 HHQRRPYHAH 0.35
47 QHQRRPRHAR 0.35
48 QHQRRPWHAR 0.35
49 HHKRRPRDAR 0.35
50 HHKRRPWDAR 0.36
51 MHQRRPRKAK 0.37
52 MHQRRPYKAR 0.38
53 QHQRRPRKAH 0.38
54 HHRRRPRHAR 0.38
55 MHQRRPRDAK 0.38
56 MHQRRPWKAK 0.38
57 MHQRRPYDAR 0.39
58 QHQRRPWKAH 0.39
59 QHQRRPRDAH 0.39
60 MHQRRPWDAK 0.39
61 HHRRRPWHAR 0.39
62 HHQRRPYKAK 0.39
63 QHQRRPWDAH 0.4
64 HHQRRPYDAK 0.4
65 HHKRRPRHAR 0.4
66 HHRRRPRKAH 0.41
67 HHKRRPWHAR 0.41
68 HHRRRPRDAH 0.42
69 HHRRRPWKAH 0.42
70 MHQRRPWHAK 0.43
71 HHKRRPRKAH 0.43
72 MHQRRPRHAK 0.43
73 HHRRRPWDAH 0.43
74 MHQRRPYHAR 0.44
75 HHKRRPWKAH 0.44
76 QHQRRPRHAH 0.44
77 QHQRRPWHAH 0.44
78 HHKRRPRDAH 0.44
79 HHQRRPYHAK 0.45
80 HHKRRPWDAH 0.45
81 MHQRRPYKAH 0.47
82 HHRRRPRHAH 0.47
83 QHQRRPWKAK 0.48
84 MHQRRPYDAH 0.48
85 QHQRRPRKAK 0.48
86 HHRRRPWHAH 0.48
87 QHQRRPWDAK 0.49
88 QHQRRPYKAR 0.49
89 QHQRRPRDAK 0.49
90 HHKRRPRHAH 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MHQRRPRKAR

5.11

-5.24

-0.13
2 MHQRRPWDAR

4.89

-4.39

0.5
3 MHQRRPRKAH

5.38

-4.22

1.16
4 MHQRRPRHAR

5.52

-4.22

1.3
5 MHQRRPRDAH

5.52

-3.87

1.65
6 MHQRRPWKAH

5.33

-3.61

1.72
7 HHQRRPRDAR

4.95

-2.91

2.04
8 MHQRRPWHAR

5.44

-3.34

2.1
9 MHQRRPRDAR

5.29

-3.07

2.22
10 HHQRRPRDAK

5.5

-3.11

2.39
11 HHQRRPWDAK

5.25

-2.75

2.5
12 MHQRRPWKAR

5.85

-3.31

2.54
13 HHQRRPRKAR

4.97

-2.13

2.84
14 HHQRRPRKAH

5.32

-2.21

3.11
15 HHQRRPWHAH

4.94

-1.78

3.16
16 HHQRRPWKAH

5.41

-2.06

3.35
17 HHQRRPYKAR

5.26

-1.69

3.57
18 HHQRRPWKAR

5.16

-1.57

3.59
19 HHQRRPYDAR

5.71

-2.09

3.62
20 HHQRRPRDAH

5.42

-1.71

3.71
21 HHQRRPWHAR

5.41

-1.56

3.85
22 HHQRRPRHAR

5.57

-1.7

3.87
23 HHQRRPRHAH

5.56

-1.58

3.98
24 HHQRRPWDAR

5.33

-1.35

3.98
25 HHQRRPRKAK

5.61

-1.57

4.04
26 HHQRRPWDAH

5.55

-1.42

4.13
27 HHQRRPWKAK

5.3

-1.07

4.23
28 HHQRRPWHAK

5.17

-0.82

4.35
29 HHQRRPRHAK

5.49

-0.89

4.6
30 HHQRRPYHAR

5.5

-0.51

4.99

 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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