Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-26.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 1.518 ΔGbinding -1.586
TOTAL
 -0.068
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.692
Van der Waals -3.430 Backbone clash 0.000
Electrostatics 0.382 Helix dipole 0.000
Solvation Polar 3.398 Water bridges -0.032
Solvation Hyd -4.584 Disulfide 0.000
VdW clashes 0.028 Electrost. Kon 0.501
Entropy sc 0.484 Part.cov.bonds 0.000
Entropy mc

2.250

 ΔGstability

13.531
       

Predicted ligand sequences for model [LSB3_1SSH-26.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_1SSH-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DEPPRRWPR 0.0
2 DDPPRRWPR 0.0
3 DDPWRRWPR 0.02
4 DEPWRRWPR 0.02
5 DEPPKRWPR 0.07
6 DDPPKRWPR 0.07
7 DEPWKRWPR 0.09
8 DDPWKRWPR 0.09
9 DEPPRRWRR 0.1
10 DDPPRRWRR 0.1
11 DEPWRRWRR 0.12
12 DDPWRRWRR 0.13
13 DEPPHRWPR 0.14
14 DDPPHRWPR 0.15
15 DDPWHRWPR 0.17
16 DDPPKRWRR 0.17
17 DEPWHRWPR 0.17
18 DEPPKRWRR 0.17
19 DEPWKRWRR 0.19
20 DDPWKRWRR 0.2
21 DRPPRRWPR 0.21
22 DRPWRRWPR 0.23
23 DEPPHRWRR 0.25
24 DDPPHRWRR 0.25
25 DRPPKRWPR 0.27
26 DDPWHRWRR 0.27
27 DEPWHRWRR 0.27
28 DRPWKRWPR 0.3
29 DRPPRRWRR 0.31
30 DDPRRRWPR 0.32
31 DEPRRRWPR 0.32
32 DRPWRRWRR 0.33
33 DRPPHRWPR 0.35
34 DRPWHRWPR 0.37
35 DRPPKRWRR 0.38
36 DEPRKRWPR 0.38
37 DDPRKRWPR 0.39
38 DRPWKRWRR 0.4
39 DDPRRRWRR 0.42
40 DEPRRRWRR 0.42
41 DRPPHRWRR 0.45
42 DDPRHRWPR 0.46
43 DEPRHRWPR 0.46
44 DRPWHRWRR 0.47
45 DDPPRRWKR 0.47
46 DEPPRRWKR 0.47
47 DDKPRRWPR 0.48
48 DEKPRRWPR 0.48
49 DEPRKRWRR 0.49
50 DDPRKRWRR 0.49
51 DEPWRRWKR 0.49
52 DDPWRRWKR 0.5
53 DEKWRRWPR 0.5
54 DDKWRRWPR 0.51
55 DRPRRRWPR 0.52
56 DEPPKRWKR 0.54
57 DDPPKRWKR 0.54
58 DEKPKRWPR 0.55
59 DDKPKRWPR 0.55
60 DDPWKRWKR 0.56
61 DDPRHRWRR 0.56
62 DEPWKRWKR 0.56
63 DEPRHRWRR 0.56
64 DDKWKRWPR 0.57
65 DEKWKRWPR 0.57
66 DEKPRRWRR 0.58
67 DDKPRRWRR 0.59
68 DRPRKRWPR 0.59
69 DDKWRRWRR 0.61
70 DEKWRRWRR 0.61
71 DRPRRRWRR 0.62
72 DDPPHRWKR 0.62
73 DEPPHRWKR 0.62
74 DEKPHRWPR 0.63
75 DDKPHRWPR 0.63
76 DEPWHRWKR 0.64
77 DDPWHRWKR 0.64
78 DEKPKRWRR 0.65
79 DEKWHRWPR 0.65
80 DDKWHRWPR 0.65
81 DDKPKRWRR 0.66
82 DRPRHRWPR 0.67
83 DRPPRRWKR 0.68
84 DDKWKRWRR 0.68
85 DEKWKRWRR 0.68
86 DRKPRRWPR 0.69
87 DRPRKRWRR 0.69
88 DRPWRRWKR 0.7
89 DRKWRRWPR 0.71
90 DDKPHRWRR 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DDPPHRWRR

1.4

-15.1

-13.7
2 DDPPKRWRR

1.2

-14.62

-13.42
3 DEPPKRWRR

1.12

-14.05

-12.93
4 DEPPRRWRR

1.05

-13.96

-12.91
5 DEPPKRWPR

1.13

-13.96

-12.83
6 DDPPRRWRR

1.09

-13.92

-12.83
7 DDPPRRWPR

1.14

-13.88

-12.74
8 DEPPRRWPR

1.13

-13.71

-12.58
9 DRPPRRWPR

1.18

-13.64

-12.46
10 DRPPKRWPR

1.17

-13.59

-12.42
11 DDPPHRWPR

1.17

-13.34

-12.17
12 DEPPHRWRR

1.07

-13.21

-12.14
13 DDPPKRWPR

1.06

-12.97

-11.91
14 DEPPHRWPR

1.23

-13.13

-11.9
15 DRPPRRWRR

1.34

-13.23

-11.89
16 DDPWKRWRR

1.1

-12.96

-11.86
17 DEPWHRWRR

1.08

-12.66

-11.58
18 DDPWHRWRR

1.06

-12.51

-11.45
19 DDPRRRWPR

1.29

-12.72

-11.43
20 DEPWRRWPR

1.42

-12.48

-11.06
21 DDPWRRWRR

1.13

-11.78

-10.65
22 DEPWHRWPR

1.22

-11.86

-10.64
23 DRPWKRWPR

1.15

-11.5

-10.35
24 DRPWRRWPR

1.14

-11.34

-10.2
25 DDPWKRWPR

1.12

-11.02

-9.9
26 DDPWRRWPR

1.29

-11.03

-9.74
27 DDPWHRWPR

1.42

-11.05

-9.63
28 DEPWRRWRR

1.1

-10.67

-9.57
29 DEPWKRWPR

1.1

-10.45

-9.35
30 DEPWKRWRR

1.08

-9.21

-8.13

 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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