Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-1.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 1.388 ΔGbinding -2.883
TOTAL
 -1.495
Backbone Hb -0.825 Cis_bond 0.000
Sidechain Hb -0.825 Torsional clash 1.076
Van der Waals -4.695 Backbone clash 0.192
Electrostatics -0.921 Helix dipole 0.000
Solvation Polar 4.763 Water bridges -0.080
Solvation Hyd -7.294 Disulfide 0.000
VdW clashes 3.548 Electrost. Kon -1.018
Entropy sc 1.014 Part.cov.bonds 0.000
Entropy mc

2.376

 ΔGstability

11.299
       

Predicted ligand sequences for model [BBC1_1ZUK2-1.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_1ZUK2-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RLQWRLPDRW 0.0
2 RLQRRLPDRW 0.04
3 RLQIRLPDRW 0.06
4 RLNWRLPDRW 0.09
5 RLQWRLPPRW 0.11
6 RLQWRLPERW 0.12
7 RLNRRLPDRW 0.13
8 RLQRRLPPRW 0.15
9 RLQWKLPDRW 0.15
10 RLQWRKPDRW 0.15
11 RLNIRLPDRW 0.15
12 RLQRRLPERW 0.16
13 RLQIRLPPRW 0.17
14 RLQRRKPDRW 0.18
15 RLQIRLPERW 0.18
16 RLQRKLPDRW 0.19
17 RLQIRKPDRW 0.2
18 RLQWHLPDRW 0.2
19 RLNWRLPERW 0.21
20 RLQIKLPDRW 0.21
21 RLNWRLPPRW 0.21
22 RLRWRLPDRW 0.23
23 RLNWRKPDRW 0.24
24 RLNWKLPDRW 0.24
25 RLQRHLPDRW 0.24
26 RLNRRLPERW 0.25
27 RLNRRLPPRW 0.25
28 RLQIHLPDRW 0.26
29 RLQWKLPPRW 0.26
30 RLQWRKPPRW 0.26
31 RLQWRKPERW 0.27
32 RLRRRLPDRW 0.27
33 RLNIRLPERW 0.27
34 RLQWKLPERW 0.27
35 RLNIRLPPRW 0.27
36 RLNRRKPDRW 0.28
37 RLNRKLPDRW 0.28
38 RLNWHLPDRW 0.29
39 RLQWKKPDRW 0.29
40 RLRIRLPDRW 0.29
41 RLQRRKPPRW 0.3
42 RLQRKLPPRW 0.3
43 RLNIRKPDRW 0.3
44 RLNIKLPDRW 0.3
45 RLQRKLPERW 0.31
46 RLQRRKPERW 0.31
47 RLQWHLPPRW 0.31
48 RLQIKLPPRW 0.32
49 RLQIRKPPRW 0.32
50 RLQWHLPERW 0.32
51 RLQIRKPERW 0.33
52 RLQWRLKDRW 0.33
53 RLQRKKPDRW 0.33
54 RLNRHLPDRW 0.33
55 RLQIKLPERW 0.33
56 RLRWRLPPRW 0.34
57 RLQWHKPDRW 0.34
58 RLQWRFPDRW 0.34
59 RAQWRLPDRW 0.34
60 RLQIKKPDRW 0.35
61 RLRWRLPERW 0.35
62 RLQRHLPPRW 0.35
63 RLNWRKPPRW 0.35
64 RLNIHLPDRW 0.35
65 RLQRHLPERW 0.36
66 RLNWKLPERW 0.36
67 RLNWRKPERW 0.36
68 RLQRRLKDRW 0.36
69 RLNWKLPPRW 0.36
70 RLQIHLPPRW 0.37
71 RLRWRKPDRW 0.38
72 RLQRHKPDRW 0.38
73 RLRRRLPPRW 0.38
74 RLQRRFPDRW 0.38
75 RLRWKLPDRW 0.38
76 RLQIHLPERW 0.38
77 RAQRRLPDRW 0.38
78 RLQIRLKDRW 0.39
79 RLNRRKPPRW 0.39
80 RLNWKKPDRW 0.39
81 RLRRRLPERW 0.39
82 RLNRKLPPRW 0.4
83 RLQIHKPDRW 0.4
84 RLRIRLPPRW 0.4
85 RAQIRLPDRW 0.4
86 RLNRKLPERW 0.4
87 RLNRRKPERW 0.4
88 RLQIRFPDRW 0.4
89 RLNWHLPPRW 0.41
90 RLQWKKPPRW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RLNRRLPPRW

3.67

-14.33

-10.66
2 RLQRRKPDRW

2.76

-13.1

-10.34
3 RLQIRKPDRW

3.0

-13.15

-10.15
4 RLQRRLPPRW

3.44

-13.39

-9.95
5 RLQRRLPDRW

4.09

-13.85

-9.76
6 RLQWRKPDRW

2.82

-12.56

-9.74
7 RLQWRLPPRW

3.14

-12.84

-9.7
8 RLQRRLPERW

3.39

-13.02

-9.63
9 RLQRHLPDRW

3.53

-13.08

-9.55
10 RLNRRLPDRW

4.13

-13.51

-9.38
11 RLQIRLPDRW

2.96

-12.3

-9.34
12 RLNWRLPDRW

2.84

-12.18

-9.34
13 RLQWRLPDRW

3.79

-13.08

-9.29
14 RLQIRLPPRW

3.28

-12.56

-9.28
15 RLNWKLPDRW

3.14

-12.39

-9.25
16 RLNWRKPDRW

3.22

-12.35

-9.13
17 RLQWRLPERW

3.39

-12.45

-9.06
18 RLQWKLPDRW

3.39

-12.31

-8.92
19 RLQRKLPDRW

3.78

-12.66

-8.88
20 RLQIKLPDRW

2.99

-11.85

-8.86
21 RLQWHLPDRW

3.19

-11.91

-8.72
22 RLNRRLPERW

3.24

-11.86

-8.62
23 RLNWRLPERW

3.39

-11.99

-8.6
24 RLRWRLPDRW

3.7

-12.09

-8.39
25 RLQIHLPDRW

2.96

-11.25

-8.29
26 RLQWRKPPRW

3.73

-11.73

-8.0
27 RLQIRLPERW

3.22

-11.14

-7.92
28 RLNIRLPDRW

4.06

-11.9

-7.84
29 RLNWRLPPRW

4.04

-11.84

-7.8
30 RLQWKLPPRW

4.49

-11.45

-6.96

 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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