Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-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 4.502 ΔGbinding -4.414
TOTAL
 0.088
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.356
Van der Waals -5.005 Backbone clash 0.209
Electrostatics -0.308 Helix dipole 0.000
Solvation Polar 5.235 Water bridges -0.087
Solvation Hyd -6.933 Disulfide 0.000
VdW clashes 1.630 Electrost. Kon -0.382
Entropy sc 0.941 Part.cov.bonds 0.000
Entropy mc

1.690

 ΔGstability

13.293
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-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).
 
  BZZ1-D1_1ZUU-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRYWFPDMW 0.0
2 RKRYWFPRMW 0.11
3 RKRYWFPDPW 0.12
4 RKRKWFPDMW 0.22
5 RKRYWFPRPW 0.23
6 RRRYWFPDMW 0.27
7 RKRYWFPDQW 0.29
8 RKRYWKPDMW 0.3
9 RKRYWFPKMW 0.3
10 RKRKWFPDPW 0.34
11 RKRKWFPRMW 0.34
12 RLRYWFPDMW 0.38
13 RRRYWFPRMW 0.38
14 RRRYWFPDPW 0.39
15 RKRYWFPDMY 0.39
16 RKRYWFPRQW 0.4
17 RKRYWKPDPW 0.42
18 RKRYWKPRMW 0.42
19 RKRYWFPKPW 0.42
20 RKRYWFDDMW 0.42
21 RKRYDFPDMW 0.46
22 RKRKWFPRPW 0.46
23 RRRKWFPDMW 0.49
24 RLRYWFPRMW 0.49
25 RRRYWFPRPW 0.5
26 RLRYWFPDPW 0.5
27 RKRYWFPRMY 0.5
28 RKRKWFPDQW 0.51
29 RKRYWFPDPY 0.51
30 RKRKWFPKMW 0.53
31 RKRKWKPDMW 0.53
32 RKRYWFDRMW 0.53
33 RKRYWKPRPW 0.54
34 RKRYWFDDPW 0.54
35 RRRYWFPDQW 0.56
36 RRRYWKPDMW 0.57
37 RRRYWFPKMW 0.57
38 RKRYDFPRMW 0.57
39 RKRYDFPDPW 0.58
40 RKRYWKPDQW 0.59
41 RKRYWFPKQW 0.59
42 RRRKWFPRMW 0.61
43 RKRYWKPKMW 0.61
44 RLRKWFPDMW 0.61
45 RRRKWFPDPW 0.61
46 RKRKWFPDMY 0.62
47 RKRYWFPRPY 0.62
48 RKRKWFPRQW 0.62
49 RLRYWFPRPW 0.62
50 RKRKWKPRMW 0.64
51 RKRKWFDDMW 0.64
52 RKRYWFDRPW 0.65
53 RKRKWKPDPW 0.65
54 RKRKWFPKPW 0.65
55 RRRYWFPDMY 0.66
56 RRRYWFPRQW 0.67
57 RLRYWFPDQW 0.67
58 RKRYWFPDQY 0.68
59 RKRKDFPDMW 0.68
60 RKRYDFPRPW 0.69
61 RRRYWFDDMW 0.69
62 RLRYWKPDMW 0.69
63 RLRYWFPKMW 0.69
64 RRRYWKPRMW 0.69
65 RRRYWFPKPW 0.7
66 RRRYWKPDPW 0.7
67 RKRYWKPDMY 0.7
68 RKRYWFDDQW 0.7
69 RKRYWKPRQW 0.7
70 RKRYWFPKMY 0.7
71 RKRYWKDDMW 0.72
72 RLRKWFPRMW 0.72
73 RKRYWFDKMW 0.72
74 RRRYDFPDMW 0.73
75 RLRKWFPDPW 0.73
76 RKRYWKPKPW 0.73
77 RRRKWFPRPW 0.73
78 RKRKWFPRMY 0.73
79 RKRKWFPDPY 0.74
80 RKRYDFPDQW 0.75
81 RKRKWFDRMW 0.75
82 RKRYDKPDMW 0.76
83 RKRYDFPKMW 0.76
84 RKRKWFDDPW 0.76
85 RKRKWKPRPW 0.76
86 RRRYWFPRMY 0.77
87 RLRYWFPDMY 0.78
88 RLRYWFPRQW 0.78
89 RRRYWFPDPY 0.78
90 RRRKWFPDQW 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRKWFPDMW

3.48

-13.71

-10.23
2 RKRKWFPRPW

3.67

-12.23

-8.56
3 RKRYWKPRMW

2.78

-11.23

-8.45
4 RKRYWFPKPW

2.87

-11.26

-8.39
5 RLRYWFPDPW

2.85

-11.21

-8.36
6 RRRYWFPDPW

4.11

-12.1

-7.99
7 RKRYWFPDPY

3.49

-10.9

-7.41
8 RKRKWFPDPW

3.28

-10.64

-7.36
9 RKRYDFPDMW

2.78

-10.13

-7.35
10 RLRYWFPDMW

3.53

-10.72

-7.19
11 RKRKWFPDQW

4.06

-11.19

-7.13
12 RKRKWFPRMW

3.68

-10.8

-7.12
13 RKRYWFPDPW

4.18

-11.01

-6.83
14 RKRYWFPRPW

4.12

-10.83

-6.71
15 RKRKWFPKMW

4.07

-10.72

-6.65
16 RKRKWFPDMW

3.37

-9.92

-6.55
17 RLRYWFPRMW

3.32

-9.81

-6.49
18 RRRYWFPDMW

4.04

-10.34

-6.3
19 RKRYWFPRMW

3.07

-9.26

-6.19
20 RKRYWFPRMY

3.11

-9.1

-5.99
21 RKRYWFPDMW

3.97

-9.62

-5.65
22 RRRYWFPRMW

4.59

-10.22

-5.63
23 RKRYWFPRQW

4.15

-9.77

-5.62
24 RKRYWKPDPW

3.56

-9.17

-5.61
25 RKRYWFPDQW

3.75

-9.14

-5.39
26 RKRYWKPDMW

3.05

-8.33

-5.28
27 RKRYWFDDMW

5.31

-10.47

-5.16
28 RKRYWFPDMY

4.74

-9.52

-4.78
29 RRRYWFPRPW

6.17

-10.89

-4.72
30 RKRYWFPKMW

4.61

-8.53

-3.92

 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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