Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-28.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 0.835 ΔGbinding -1.099
TOTAL
 -0.264
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.281
Van der Waals -4.773 Backbone clash 0.170
Electrostatics 0.337 Helix dipole 0.000
Solvation Polar 5.084 Water bridges -0.007
Solvation Hyd -6.723 Disulfide 0.000
VdW clashes 0.943 Electrost. Kon 0.413
Entropy sc 0.733 Part.cov.bonds 0.000
Entropy mc

3.888

 ΔGstability

11.960
       

Predicted ligand sequences for model [YSC84_2A08-28.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).
 
  YSC84_2A08-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPPIIPRPNR 0.0
2 IPHIIPRPNR 0.01
3 IPPIIPRKNR 0.05
4 IPRIIPRPNR 0.07
5 FPPIIPRPNR 0.07
6 IPHIIPRKNR 0.07
7 FPHIIPRPNR 0.08
8 FPPIIPRKNR 0.12
9 IPRIIPRKNR 0.12
10 FPRIIPRPNR 0.14
11 FPHIIPRKNR 0.14
12 IPPIIPRRNR 0.17
13 IPHIIPRRNR 0.18
14 IPPIIKRPNR 0.19
15 FPRIIPRKNR 0.19
16 IPPIIIRPNR 0.2
17 IPHIIKRPNR 0.21
18 IPHIIIRPNR 0.22
19 IIPIIPRPNR 0.23
20 IPRIIPRRNR 0.23
21 IPPIIKRKNR 0.24
22 IIHIIPRPNR 0.24
23 FPPIIPRRNR 0.24
24 FPHIIPRRNR 0.25
25 IPHIIKRKNR 0.26
26 IPPIIIRKNR 0.26
27 IPRIIKRPNR 0.26
28 FPPIIKRPNR 0.26
29 FPPIIIRPNR 0.27
30 IPRIIIRPNR 0.27
31 IPHIIIRKNR 0.27
32 IIPIIPRKNR 0.28
33 FPHIIKRPNR 0.28
34 IIHIIPRKNR 0.29
35 FPHIIIRPNR 0.29
36 IIRIIPRPNR 0.29
37 FPRIIPRRNR 0.3
38 FIPIIPRPNR 0.3
39 FPPIIKRKNR 0.31
40 FIHIIPRPNR 0.31
41 IPRIIKRKNR 0.31
42 IPRIIIRKNR 0.32
43 FPRIIKRPNR 0.33
44 FPHIIKRKNR 0.33
45 FPPIIIRKNR 0.33
46 FPRIIIRPNR 0.34
47 FPHIIIRKNR 0.34
48 IIRIIPRKNR 0.35
49 FIPIIPRKNR 0.35
50 IPPIIKRRNR 0.36
51 FIHIIPRKNR 0.36
52 FIRIIPRPNR 0.36
53 IPHIIKRRNR 0.37
54 IPPIIIRRNR 0.37
55 IPHIIIRRNR 0.38
56 FPRIIKRKNR 0.38
57 IIPIIPRRNR 0.39
58 FPRIIIRKNR 0.39
59 IPPIIPRPRR 0.41
60 IIHIIPRRNR 0.41
61 IPHIIPRPRR 0.42
62 IIPIIKRPNR 0.42
63 IPPKIPRPNR 0.42
64 FIRIIPRKNR 0.42
65 IPRIIKRRNR 0.42
66 IIHIIKRPNR 0.43
67 IPHKIPRPNR 0.43
68 IIPIIIRPNR 0.43
69 FPPIIKRRNR 0.43
70 FPPIIIRRNR 0.44
71 FPHIIKRRNR 0.44
72 IIHIIIRPNR 0.44
73 IPRIIIRRNR 0.44
74 FPHIIIRRNR 0.45
75 IPPIIPRKRR 0.46
76 FIPIIPRRNR 0.46
77 IIRIIPRRNR 0.46
78 IPPKIPRKNR 0.47
79 IPHIIPRKRR 0.47
80 IIPIIKRKNR 0.47
81 IPRIIPRPRR 0.47
82 IPPVIPRPNR 0.48
83 FIHIIPRRNR 0.48
84 IIRIIKRPNR 0.48
85 IPRKIPRPNR 0.48
86 IPHKIPRKNR 0.48
87 IIHIIKRKNR 0.48
88 IIPIIIRKNR 0.48
89 FPPIIPRPRR 0.48
90 IPPIIPFPNR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPIIIRPNR

2.92

-14.89

-11.97
2 FPRIIPRPNR

3.1

-15.03

-11.93
3 FPPIIKRPNR

3.2

-14.93

-11.73
4 IPPIIKRPNR

2.85

-14.31

-11.46
5 FPHIIPRPNR

3.42

-14.88

-11.46
6 FPPIIPRKNR

2.99

-14.45

-11.46
7 IPPIIPRRNR

2.91

-14.16

-11.25
8 IPPIIKRKNR

2.6

-13.78

-11.18
9 IPHIIIRPNR

2.76

-13.93

-11.17
10 IPHIIKRKNR

2.61

-13.53

-10.92
11 FPPIIPRPNR

3.39

-14.29

-10.9
12 IPPIIIRKNR

2.52

-13.23

-10.71
13 IPHIIPRKNR

2.7

-13.28

-10.58
14 FPRIIPRKNR

2.85

-13.3

-10.45
15 IPRIIPRKNR

2.72

-13.04

-10.32
16 IPRIIPRPNR

3.46

-13.68

-10.22
17 IPRIIKRPNR

2.92

-13.07

-10.15
18 IPPIIIRPNR

2.88

-13.01

-10.13
19 IPRIIPRRNR

2.81

-12.93

-10.12
20 IPHIIPRPNR

3.02

-13.12

-10.1
21 FPPIIPRRNR

3.1

-13.09

-9.99
22 IPPIIPRPNR

3.44

-13.34

-9.9
23 FPHIIPRKNR

3.0

-12.84

-9.84
24 IPHIIKRPNR

3.77

-13.56

-9.79
25 IPRIIIRPNR

2.39

-12.1

-9.71
26 FPHIIPRRNR

2.94

-12.53

-9.59
27 IPPIIPRKNR

3.16

-12.67

-9.51
28 IIHIIPRPNR

4.05

-13.46

-9.41
29 IPHIIPRRNR

2.69

-12.09

-9.4
30 IIPIIPRPNR

3.83

-10.42

-6.59

 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