Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-25.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
poly-Ala 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 2.231 ΔGbinding -1.160
TOTAL
 1.071
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.620
Van der Waals -3.584 Backbone clash 0.007
Electrostatics 0.154 Helix dipole 0.000
Solvation Polar 4.739 Water bridges -0.008
Solvation Hyd -5.043 Disulfide 0.000
VdW clashes 0.691 Electrost. Kon 0.016
Entropy sc 0.481 Part.cov.bonds 0.000
Entropy mc

2.550

 ΔGstability

24.692
       

Predicted ligand sequences for model [NBP2_1SEM-25.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).
 
  NBP2_1SEM-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRRRPPFM 0.0
2 KRRRRPPFM 0.03
3 HRRPRPPFM 0.06
4 HRRHRPPFM 0.06
5 KRRPRPPFM 0.09
6 RRRRRPPFM 0.09
7 KRRHRPPFM 0.09
8 RRRHRPPFM 0.14
9 RRRPRPPFM 0.15
10 HRRRRPPHM 0.16
11 HRRRRPPRM 0.16
12 KRRRRPPHM 0.19
13 HRRRRPRFM 0.19
14 KRRRRPPRM 0.2
15 HRRHRPPHM 0.21
16 HRRPRPPHM 0.21
17 HRRPRPPRM 0.22
18 HRRHRPPRM 0.22
19 KRRRRPRFM 0.22
20 HRRRRPHFM 0.23
21 KRRHRPPHM 0.24
22 RRRRRPPRM 0.25
23 KRRPRPPHM 0.25
24 KRRHRPPRM 0.25
25 KRRPRPPRM 0.25
26 RRRRRPPHM 0.25
27 HRRHRPRFM 0.25
28 HRRPRPRFM 0.25
29 HYRRRPPFM 0.27
30 KRRRRPHFM 0.27
31 KRRPRPRFM 0.28
32 KRRHRPRFM 0.28
33 RRRRRPRFM 0.28
34 HRRHRPHFM 0.29
35 HRRPRPHFM 0.29
36 RRRPRPPHM 0.3
37 RRRHRPPHM 0.3
38 RRRPRPPRM 0.31
39 KYRRRPPFM 0.31
40 RRRHRPPRM 0.31
41 KRRPRPHFM 0.32
42 RRRRRPHFM 0.32
43 KRRHRPHFM 0.32
44 HYRHRPPFM 0.33
45 HYRPRPPFM 0.33
46 RRRPRPRFM 0.34
47 RRRHRPRFM 0.34
48 HRRRRPRHM 0.35
49 HRRRRPRRM 0.36
50 KYRHRPPFM 0.36
51 RYRRRPPFM 0.36
52 KYRPRPPFM 0.36
53 RRRPRPHFM 0.38
54 RRRHRPHFM 0.38
55 KRRRRPRHM 0.38
56 HRRRRPHHM 0.39
57 KRRRRPRRM 0.39
58 HRRRRPPFW 0.39
59 HRRHRPRHM 0.4
60 HRRRRPHRM 0.4
61 HRRPRPRRM 0.41
62 HRRHRPRRM 0.41
63 HRRPRPRHM 0.41
64 KRRRRPHHM 0.42
65 KRRRRPPFW 0.42
66 RYRPRPPFM 0.42
67 RYRHRPPFM 0.42
68 HRRRRRPFM 0.42
69 KRRRRPHRM 0.43
70 HYRRRPPHM 0.43
71 HRRHRPPFW 0.44
72 KRRHRPRHM 0.44
73 KRRPRPRHM 0.44
74 KRRHRPRRM 0.44
75 RRRRRPRHM 0.44
76 HYRRRPPRM 0.44
77 HRRHRPHHM 0.45
78 HRRPRPPFW 0.45
79 KRRRRRPFM 0.45
80 KRRPRPRRM 0.45
81 HRRHRPHRM 0.45
82 HRRPRPHHM 0.45
83 RRRRRPRRM 0.45
84 HRRPRPHRM 0.46
85 KYRRRPPHM 0.46
86 HYRRRPRFM 0.47
87 KYRRRPPRM 0.47
88 KRRHRPPFW 0.47
89 KRRPRPHHM 0.48
90 HYRHRPPHM 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRPRPPFM

2.19

-11.75

-9.56
2 HRRPRPPFM

2.0

-11.23

-9.23
3 HRRPRPRFM

2.3

-11.51

-9.21
4 HRRRRPHFM

2.79

-11.98

-9.19
5 KRRHRPPFM

2.27

-11.42

-9.15
6 RRRRRPPHM

2.04

-11.15

-9.11
7 RRRHRPPFM

1.95

-11.02

-9.07
8 KRRRRPPFM

2.45

-11.5

-9.05
9 HRRHRPRFM

2.7

-11.71

-9.01
10 HRRRRPPFM

2.79

-11.77

-8.98
11 KRRRRPHFM

2.31

-11.29

-8.98
12 KRRRRPRFM

2.31

-11.06

-8.75
13 KRRPRPPHM

2.19

-10.84

-8.65
14 KRRPRPPRM

2.4

-11.03

-8.63
15 HRRHRPPFM

2.19

-10.76

-8.57
16 KRRPRPPFM

2.3

-10.85

-8.55
17 HRRHRPPHM

1.98

-10.45

-8.47
18 HRRPRPPRM

1.94

-10.29

-8.35
19 HRRPRPPHM

3.17

-11.46

-8.29
20 KRRRRPPRM

1.76

-10.0

-8.24
21 RRRRRPPFM

2.67

-10.89

-8.22
22 RRRRRPPRM

2.15

-10.36

-8.21
23 HRRRRPPRM

1.45

-9.44

-7.99
24 HRRRRPRFM

2.49

-10.29

-7.8
25 KRRHRPPHM

2.65

-10.27

-7.62
26 KRRRRPPHM

2.5

-10.1

-7.6
27 HRRRRPPHM

2.23

-9.45

-7.22
28 KRRHRPPRM

1.83

-8.93

-7.1
29 HYRRRPPFM

2.37

-9.06

-6.69
30 HRRHRPPRM

2.42

-7.63

-5.21

 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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