Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-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 5.024 ΔGbinding 1.060
TOTAL
 6.084
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.935
Van der Waals -3.220 Backbone clash 0.152
Electrostatics 0.376 Helix dipole 0.000
Solvation Polar 2.883 Water bridges 0.049
Solvation Hyd -4.848 Disulfide 0.000
VdW clashes 0.818 Electrost. Kon 0.449
Entropy sc 0.425 Part.cov.bonds 0.000
Entropy mc

3.193

 ΔGstability

20.280
       

Predicted ligand sequences for model [LSB3_1OOT-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).
 
  LSB3_1OOT-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIRPHRF 0.0
2 FPPIRPHRF 0.03
3 FPFIRPRRF 0.06
4 FPFLRPHRF 0.06
5 FPPIRPRRF 0.08
6 FPYIRPHRF 0.09
7 FPPLRPHRF 0.09
8 FPFLRPRRF 0.12
9 FPFMRPHRF 0.12
10 FPYIRPRRF 0.14
11 FPPLRPRRF 0.15
12 FPPMRPHRF 0.15
13 FPYLRPHRF 0.15
14 FPFMRPRRF 0.17
15 FPFIRPIRF 0.17
16 FPFIYPHRF 0.19
17 FWFIRPHRF 0.19
18 FPPIRPIRF 0.2
19 FPPMRPRRF 0.2
20 FPYMRPHRF 0.2
21 FPYLRPRRF 0.2
22 FWPIRPHRF 0.21
23 FPPIYPHRF 0.22
24 FPFLRPIRF 0.24
25 FWFIRPRRF 0.24
26 FPFIYPRRF 0.25
27 FWFLRPHRF 0.25
28 FPFLYPHRF 0.26
29 FPYMRPRRF 0.26
30 FPPLRPIRF 0.26
31 FPYIRPIRF 0.26
32 FWYIRPHRF 0.27
33 FWPIRPRRF 0.27
34 WPFIRPHRF 0.27
35 FPPLYPHRF 0.28
36 FPYIYPHRF 0.28
37 FPPIYPRRF 0.28
38 FWPLRPHRF 0.28
39 FPFMRPIRF 0.29
40 WPPIRPHRF 0.29
41 FWFMRPHRF 0.3
42 FIFIRPHRF 0.3
43 FWFLRPRRF 0.3
44 FPFLYPRRF 0.31
45 FPFMYPHRF 0.31
46 WPFIRPRRF 0.32
47 FPFIRRHRF 0.32
48 FPPMRPIRF 0.32
49 FIPIRPHRF 0.32
50 FPYLRPIRF 0.32
51 FWYIRPRRF 0.33
52 FPYIYPRRF 0.33
53 FWPMRPHRF 0.33
54 WPFLRPHRF 0.33
55 FWYLRPHRF 0.33
56 FWPLRPRRF 0.33
57 FPPMYPHRF 0.34
58 FPPLYPRRF 0.34
59 FPYLYPHRF 0.34
60 FPFIRPHRY 0.34
61 WPYIRPHRF 0.35
62 FPPIRRHRF 0.35
63 WPPIRPRRF 0.35
64 FIFIRPRRF 0.35
65 FWFIRPIRF 0.36
66 FPFIYPIRF 0.36
67 FIFLRPHRF 0.36
68 WPPLRPHRF 0.36
69 FWFMRPRRF 0.36
70 FPFIRRRRF 0.37
71 FPPIRPHRY 0.37
72 FPFMYPRRF 0.37
73 FWFIYPHRF 0.38
74 WPFMRPHRF 0.38
75 FPYMRPIRF 0.38
76 FIPIRPRRF 0.38
77 FPFLRRHRF 0.38
78 WPFLRPRRF 0.38
79 FIYIRPHRF 0.38
80 FIPLRPHRF 0.39
81 FWYMRPHRF 0.39
82 FPPIYPIRF 0.39
83 FWPMRPRRF 0.39
84 FWYLRPRRF 0.39
85 FPPMYPRRF 0.39
86 FWPIRPIRF 0.39
87 FPYIRRHRF 0.4
88 FPYMYPHRF 0.4
89 FPFIRPRRY 0.4
90 FPPIRRRRF 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPMRPRRF

6.02

-8.72

-2.7
2 FPYLRPRRF

5.74

-8.02

-2.28
3 FPFLRPIRF

6.69

-8.85

-2.16
4 FPPMRPHRF

5.8

-7.94

-2.14
5 FPFMRPRRF

5.88

-7.96

-2.08
6 FPFMRPHRF

6.29

-8.32

-2.03
7 FPFLRPRRF

7.5

-9.38

-1.88
8 FPPLRPHRF

5.86

-7.67

-1.81
9 FPYMRPHRF

5.8

-7.58

-1.78
10 FPYMRPRRF

6.92

-8.63

-1.71
11 FPFIYPHRF

5.93

-7.59

-1.66
12 FPPIRPRRF

5.97

-7.51

-1.54
13 FPFIYPRRF

5.87

-7.04

-1.17
14 FPPIRPHRF

5.94

-6.99

-1.05
15 FPFIRPRRF

6.92

-7.64

-0.72
16 FPFLYPHRF

6.32

-6.95

-0.63
17 FPPLRPIRF

6.07

-6.37

-0.3
18 FPPIYPHRF

6.7

-6.93

-0.23
19 FPYLRPHRF

6.45

-6.66

-0.21
20 FPFIRPHRF

6.37

-6.56

-0.19
21 FPPLRPRRF

8.99

-9.16

-0.17
22 FPPIRPIRF

6.24

-6.35

-0.11
23 FPFIRPIRF

6.17

-5.47

0.7
24 FPFLRPHRF

6.99

-6.27

0.72
25 FPYIRPRRF

10.02

-7.71

2.31
26 FPYIRPHRF

10.11

-7.75

2.36
27 FWFIRPRRF

9.71

-6.81

2.9
28 FWFIRPHRF

8.95

-5.91

3.04
29 FWFLRPHRF

8.65

-5.06

3.59
30 FWPIRPHRF

9.13

-5.2

3.93

 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