Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-16.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
G
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 6.597 ΔGbinding -1.390
TOTAL
 5.207
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.878
Van der Waals -3.436 Backbone clash 0.150
Electrostatics 0.220 Helix dipole 0.000
Solvation Polar 2.818 Water bridges -0.017
Solvation Hyd -5.182 Disulfide 0.000
VdW clashes 0.125 Electrost. Kon 0.251
Entropy sc 0.399 Part.cov.bonds 0.000
Entropy mc

3.829

 ΔGstability

34.164
       

Predicted ligand sequences for model [RVS167_FYN-SSH-16.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).
 
  RVS167_FYN-SSH-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHPIRPIWF 0.0
2 FHFIRPIWF 0.01
3 FHYIRPIWF 0.09
4 FHRIRPIWF 0.18
5 FHSIRPIWF 0.27
6 HHPIRPIWF 0.29
7 HHFIRPIWF 0.3
8 FHPIRPIWY 0.33
9 FHFIRPIWY 0.35
10 HHYIRPIWF 0.37
11 RHPIRPIWF 0.38
12 RHFIRPIWF 0.39
13 FHYIRPIWY 0.42
14 WHPIRPIWF 0.43
15 WHFIRPIWF 0.44
16 RHYIRPIWF 0.47
17 HHRIRPIWF 0.47
18 FHPKRPIWF 0.5
19 WHYIRPIWF 0.52
20 FHFKRPIWF 0.52
21 FHRIRPIWY 0.52
22 FHPNRPIWF 0.53
23 FHPIRPIWK 0.54
24 FHFNRPIWF 0.54
25 HHSIRPIWF 0.55
26 FHFIRPIWK 0.55
27 RHRIRPIWF 0.56
28 FHYKRPIWF 0.59
29 FHSIRPIWY 0.6
30 WHRIRPIWF 0.61
31 FHYNRPIWF 0.61
32 HHPIRPIWY 0.62
33 FHYIRPIWK 0.62
34 HHFIRPIWY 0.63
35 RHSIRPIWF 0.64
36 WHSIRPIWF 0.69
37 FHRKRPIWF 0.69
38 HHYIRPIWY 0.71
39 FHRNRPIWF 0.71
40 RHPIRPIWY 0.71
41 FHRIRPIWK 0.72
42 RHFIRPIWY 0.73
43 WHPIRPIWY 0.76
44 WHFIRPIWY 0.77
45 FHSKRPIWF 0.77
46 HHPKRPIWF 0.79
47 FHSNRPIWF 0.79
48 HHFKRPIWF 0.8
49 RHYIRPIWY 0.8
50 FHSIRPIWK 0.8
51 HHRIRPIWY 0.8
52 HHPNRPIWF 0.81
53 HHPIRPIWK 0.82
54 HHFIRPIWK 0.83
55 HHFNRPIWF 0.83
56 FHPKRPIWY 0.84
57 WHYIRPIWY 0.85
58 FHFKRPIWY 0.85
59 FHPNRPIWY 0.86
60 FHFNRPIWY 0.87
61 RHPKRPIWF 0.88
62 HHYKRPIWF 0.88
63 HHSIRPIWY 0.89
64 RHRIRPIWY 0.89
65 RHPNRPIWF 0.9
66 RHFKRPIWF 0.9
67 HHYNRPIWF 0.9
68 HHYIRPIWK 0.91
69 RHPIRPIWK 0.91
70 FHYKRPIWY 0.92
71 RHFNRPIWF 0.92
72 RHFIRPIWK 0.93
73 WHPKRPIWF 0.93
74 WHFKRPIWF 0.94
75 WHRIRPIWY 0.94
76 WHPNRPIWF 0.95
77 FHYNRPIWY 0.95
78 WHPIRPIWK 0.96
79 HHRKRPIWF 0.97
80 WHFNRPIWF 0.97
81 RHYKRPIWF 0.97
82 WHFIRPIWK 0.98
83 RHSIRPIWY 0.98
84 HHRNRPIWF 0.99
85 RHYNRPIWF 0.99
86 RHYIRPIWK 1.0
87 HHRIRPIWK 1.0
88 FHRKRPIWY 1.02
89 WHYKRPIWF 1.02
90 WHSIRPIWY 1.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHYKRPIWF

7.8

-8.08

-0.28
2 HHYIRPIWF

11.2

-7.78

3.42
3 RHRIRPIWF

11.33

-7.67

3.66
4 FHPIRPIWF

12.0

-8.33

3.67
5 HHRIRPIWF

11.67

-7.99

3.68
6 RHFIRPIWF

13.0

-9.27

3.73
7 WHFIRPIWF

11.14

-7.34

3.8
8 HHPIRPIWF

11.81

-7.84

3.97
9 FHPKRPIWF

10.73

-6.62

4.11
10 FHYIRPIWY

10.7

-6.56

4.14
11 FHSIRPIWF

11.78

-7.63

4.15
12 FHPIRPIWK

11.11

-6.95

4.16
13 FHPIRPIWY

10.85

-6.63

4.22
14 WHPIRPIWF

12.07

-7.84

4.23
15 FHSIRPIWY

10.74

-6.5

4.24
16 WHYIRPIWF

11.73

-7.38

4.35
17 FHRIRPIWF

11.24

-6.83

4.41
18 FHRIRPIWY

11.11

-6.68

4.43
19 FHYIRPIWF

11.82

-7.36

4.46
20 RHYIRPIWF

10.96

-6.26

4.7
21 FHFKRPIWF

11.97

-7.23

4.74
22 WHRIRPIWF

11.82

-7.05

4.77
23 FHFIRPIWK

10.84

-5.84

5.0
24 HHFIRPIWF

12.53

-7.49

5.04
25 RHPIRPIWF

12.32

-7.1

5.22
26 FHFIRPIWY

11.47

-6.25

5.22
27 FHFIRPIWF

11.34

-5.85

5.49
28 FHFNRPIWF

11.27

-5.73

5.54
29 HHSIRPIWF

12.49

-6.61

5.88
30 FHPNRPIWF

11.71

-5.46

6.25

 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