Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-4.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    

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Intraclash 2.944 ΔGbinding 0.816
TOTAL
 3.760
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.742
Van der Waals -4.672 Backbone clash 0.008
Electrostatics -0.150 Helix dipole 0.000
Solvation Polar 4.567 Water bridges -0.000
Solvation Hyd -7.114 Disulfide 0.000
VdW clashes 6.752 Electrost. Kon -0.182
Entropy sc 0.861 Part.cov.bonds 0.000
Entropy mc

1.287

 ΔGstability

28.320
       

Predicted ligand sequences for model [YSC84_1OOT-4.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_1OOT-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 KWPRYHRDMH 0.0
2 KWPRRHRDMH 0.01
3 RWPRYHRDMH 0.01
4 KWPRYHREMH 0.02
5 RWPRRHRDMH 0.02
6 KWPRYHRPMH 0.02
7 KWPRRHRPMH 0.03
8 KWPRRHREMH 0.03
9 RWPRYHRPMH 0.04
10 RWPRRHRPMH 0.04
11 RWPRYHREMH 0.04
12 RWPRRHREMH 0.05
13 KWPRYHWDMH 0.09
14 RWPRYHWDMH 0.1
15 KWPRRHWDMH 0.1
16 KWPRKHRDMH 0.1
17 KWPRYHWPMH 0.11
18 RWPRKHRDMH 0.11
19 KWPRYHWEMH 0.11
20 RWPRRHWDMH 0.11
21 RWPRYHWPMH 0.12
22 KWPRRHWPMH 0.12
23 KWPRRHWEMH 0.12
24 KWPRKHREMH 0.12
25 KWPRKHRPMH 0.12
26 KWPRYGRDMH 0.13
27 RWPRRHWPMH 0.13
28 RWPRRHWEMH 0.13
29 RWPRYHWEMH 0.13
30 RWPRYGRDMH 0.14
31 RWPRKHREMH 0.14
32 KWPRRGRDMH 0.14
33 RWPRKHRPMH 0.14
34 KWPRYGREMH 0.15
35 KWPRYGRPMH 0.15
36 RWPRRGRDMH 0.15
37 KWPRYHRDMR 0.16
38 KWPRRGRPMH 0.16
39 KWPRRGREMH 0.16
40 RWPRRGRPMH 0.17
41 KWPRRHRDMR 0.17
42 RWPRYGREMH 0.17
43 RWPRYGRPMH 0.17
44 RWPRYHRDMR 0.17
45 KWPRYHREMR 0.18
46 RWPRRHRDMR 0.18
47 RWPRRGREMH 0.18
48 KWPRYHRPMR 0.18
49 KWPRRHREMR 0.19
50 KWPRRHRPMR 0.19
51 KWPRKHWDMH 0.19
52 RWPRRHRPMR 0.2
53 RWPRKHWDMH 0.2
54 RWPRYHRPMR 0.2
55 RWPRYHREMR 0.2
56 RWPRRHREMR 0.21
57 KWPRKHWEMH 0.21
58 KWPRKHWPMH 0.21
59 RWPRKHWPMH 0.22
60 KWPRYGWDMH 0.22
61 RWPRYGWDMH 0.23
62 RWPRKHWEMH 0.23
63 KWPRRGWDMH 0.23
64 KWPRKGRDMH 0.23
65 RWPRRGWDMH 0.24
66 RWPRKGRDMH 0.24
67 KWPRYGWEMH 0.24
68 KWPRYGWPMH 0.24
69 KWPRYHWDMR 0.25
70 KWIRYHRDMH 0.25
71 KWPRRGWEMH 0.25
72 RWPRYGWPMH 0.25
73 KWPRRGWPMH 0.25
74 KWPRKGRPMH 0.25
75 KWPRKGREMH 0.25
76 KWPRKHRDMR 0.26
77 RWPRYHWDMR 0.26
78 RWIRYHRDMH 0.26
79 RWPRRGWPMH 0.26
80 KWIRRHRDMH 0.26
81 RWPRYGWEMH 0.26
82 KWPRRHWDMR 0.26
83 RWPRRGWEMH 0.26
84 KWPRYHWPMR 0.27
85 KWIRYHRPMH 0.27
86 KWPRYHWEMR 0.27
87 RWPRKHRDMR 0.27
88 RWPRRHWDMR 0.27
89 RWIRRHRDMH 0.27
90 KWPRYHRDMP 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KWPRRHRPMH

3.18

-7.07

-3.89
2 RWPRYHWPMH

4.2

-7.75

-3.55
3 KWPRYHRDMH

3.39

-6.35

-2.96
4 RWPRRHREMH

4.42

-7.36

-2.94
5 RWPRRHWDMH

4.03

-6.76

-2.73
6 KWPRYHWDMH

4.07

-6.78

-2.71
7 KWPRRHWPMH

3.91

-6.58

-2.67
8 KWPRYGRDMH

4.39

-7.02

-2.63
9 KWPRYHWPMH

4.1

-6.7

-2.6
10 RWPRRHRPMH

3.98

-6.48

-2.5
11 KWPRKHREMH

3.55

-6.04

-2.49
12 RWPRRHWPMH

4.3

-6.78

-2.48
13 KWPRKHRPMH

3.26

-5.7

-2.44
14 KWPRRHWDMH

4.08

-6.51

-2.43
15 KWPRYHWEMH

3.77

-6.16

-2.39
16 KWPRKHRDMH

4.14

-6.42

-2.28
17 KWPRYHRPMH

3.84

-5.59

-1.75
18 RWPRKHRDMH

3.85

-5.6

-1.75
19 RWPRYGRDMH

3.83

-5.56

-1.73
20 KWPRRHWEMH

4.2

-5.92

-1.72
21 KWPRRHREMH

4.01

-5.71

-1.7
22 RWPRYHREMH

4.2

-5.82

-1.62
23 RWPRYHWDMH

4.0

-5.61

-1.61
24 RWPRYHRDMH

4.51

-6.06

-1.55
25 KWPRYHREMH

3.92

-5.45

-1.53
26 RWPRRHWEMH

4.3

-5.79

-1.49
27 RWPRYHWEMH

4.04

-5.48

-1.44
28 RWPRYHRPMH

3.95

-5.17

-1.22
29 RWPRRHRDMH

4.17

-5.22

-1.05
30 KWPRRHRDMH

4.24

-5.19

-0.95

 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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