Predicted ligand sequences


ADAN-name: 1SPS2.PDB (view again the scoring matrix)

PDB name: [1SPS.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q y E E I P
position 1 2 3 4 5 6 7
poly-Ala A A
y
 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 4.387 ΔGbinding -15.060
TOTAL
 -10.673
Backbone Hb -5.260 Cis_bond 0.000
Sidechain Hb -6.590 Torsional clash 0.480
Van der Waals -10.400 Backbone clash 0.600
Electrostatics -5.630 Helix dipole -0.250
Solvation Polar 17.560 Water bridges -1.300
Solvation Hyd -11.810 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -2.540
Entropy sc 5.500 Part.cov.bonds 0.000
Entropy mc

5.000

 ΔGstability

22.820
       

Predicted ligand sequences for template [1SPS2.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).
 
  1SPS2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWyEyMP 0.0
2 sWyEyMP 0.01
3 yWyEyMF 0.07
4 sWyEyMF 0.08
5 ysyEyMP 0.09
6 yWyEyMR 0.09
7 sWyEyMR 0.1
8 ssyEyMP 0.1
9 ysyEyMF 0.16
10 ssyEyMF 0.17
11 ysyEyMR 0.18
12 ssyEyMR 0.19
13 yWyDyMP 0.2
14 sWyDyMP 0.21
15 yWyDyMF 0.27
16 ysyDyMP 0.28
17 sWyDyMF 0.28
18 ssyDyMP 0.29
19 yWyDyMR 0.29
20 sWyDyMR 0.3
21 yDyEyMP 0.3
22 sDyEyMP 0.31
23 yWyMyMP 0.33
24 ysyDyMF 0.35
25 sWyMyMP 0.35
26 ssyDyMF 0.36
27 yWyEyLP 0.36
28 ysyDyMR 0.37
29 yDyEyMF 0.37
30 sDyEyMF 0.38
31 sWyEyLP 0.38
32 ssyDyMR 0.39
33 yDyEyMR 0.39
34 sDyEyMR 0.4
35 yWyMyMF 0.4
36 yWyMyMR 0.42
37 sWyMyMF 0.42
38 ysyMyMP 0.42
39 ssyMyMP 0.43
40 sWyMyMR 0.44
41 yWyEyLF 0.44
42 ysyEyLP 0.45
43 yWyEyLR 0.45
44 sWyEyLF 0.45
45 ssyEyLP 0.46
46 sWyEyLR 0.47
47 MWyEyMP 0.48
48 ysyMyMF 0.49
49 yDyDyMP 0.5
50 ssyMyMF 0.5
51 ysyMyMR 0.51
52 sDyDyMP 0.51
53 ysyEyLF 0.52
54 ssyMyMR 0.52
55 ssyEyLF 0.53
56 ysyEyLR 0.54
57 ssyEyLR 0.55
58 MWyEyMF 0.55
59 yWyDyLP 0.56
60 MsyEyMP 0.56
61 MWyEyMR 0.57
62 yDyDyMF 0.57
63 sWyDyLP 0.57
64 sDyDyMF 0.58
65 yDyDyMR 0.59
66 sDyDyMR 0.6
67 MsyEyMF 0.63
68 yWyDyLF 0.63
69 yDyMyMP 0.64
70 sWyDyLF 0.64
71 MsyEyMR 0.65
72 sDyMyMP 0.65
73 yWyDyLR 0.65
74 ysyDyLP 0.65
75 ssyDyLP 0.66
76 sWyDyLR 0.66
77 yDyEyLP 0.67
78 MWyDyMP 0.67
79 sDyEyLP 0.68
80 yWyMyLP 0.7
81 yDyMyMF 0.71
82 sWyMyLP 0.71
83 yDyMyMR 0.72
84 sDyMyMF 0.72
85 ysyDyLF 0.72
86 ssyDyLF 0.73
87 yDyEyLF 0.74
88 sDyMyMR 0.74
89 MWyDyMF 0.74
90 ysyDyLR 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yDyEyMP

3.98

-20.92

-16.94
2 sDyEyMP

3.99

-20.75

-16.76
3 ysyEyMP

4.04

-20.58

-16.54
4 ysyDyMF

4.15

-20.61

-16.46
5 ssyEyMP

4.22

-20.68

-16.46
6 ssyEyMF

4.25

-20.6

-16.35
7 ssyDyMF

4.1

-20.41

-16.31
8 sWyMyMP

4.43

-20.6

-16.17
9 sWyEyMF

4.46

-20.41

-15.95
10 ssyDyMP

4.0

-19.9

-15.9
11 sWyEyMP

4.37

-20.1

-15.73
12 ssyEyMR

4.39

-20.12

-15.73
13 yWyEyMR

5.08

-20.75

-15.67
14 sDyEyMF

4.11

-19.74

-15.63
15 yWyEyMP

4.05

-19.62

-15.57
16 sWyEyMR

4.83

-20.17

-15.34
17 yDyEyMF

3.97

-19.11

-15.14
18 sWyDyMF

4.6

-19.67

-15.07
19 yWyDyMP

4.59

-19.25

-14.66
20 yWyDyMR

4.42

-19.05

-14.63
21 yWyEyLP

4.27

-18.88

-14.61
22 yWyEyMF

4.55

-18.86

-14.31
23 ysyDyMP

5.1

-19.27

-14.17
24 sWyDyMR

4.66

-18.41

-13.75
25 yWyDyMF

4.31

-17.95

-13.64
26 sWyDyMP

4.94

-17.77

-12.83
27 ysyEyMR

5.04

-17.37

-12.33
28 yWyMyMP

2.58

-10.86

-8.28
29 ysyEyMF

4.34

-12.42

-8.08
30 ysyDyMR

3.7

-10.67

-6.97

 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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