Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-3.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 6.312 ΔGbinding -2.783
TOTAL
 3.529
Backbone Hb -1.775 Cis_bond 0.000
Sidechain Hb -1.775 Torsional clash 1.724
Van der Waals -4.574 Backbone clash 0.247
Electrostatics -0.295 Helix dipole 0.000
Solvation Polar 5.471 Water bridges -0.237
Solvation Hyd -6.839 Disulfide 0.000
VdW clashes 1.675 Electrost. Kon -0.388
Entropy sc 0.884 Part.cov.bonds 0.000
Entropy mc

3.346

 ΔGstability

19.753
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-3.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).
 
  SLA1-D3_1Z9Z-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 MHRRHFRPMR 0.0
2 MHRRHFRPWR 0.03
3 MHRRHFRPLR 0.04
4 MHRRFFRPMR 0.16
5 MHRRFFRPWR 0.19
6 MPRRHFRPMR 0.2
7 MHRRFFRPLR 0.2
8 MHRRHFRRMR 0.22
9 MHRRRFRPMR 0.22
10 MPRRHFRPLR 0.23
11 MPRRHFRPWR 0.23
12 MHRRHFRDMR 0.24
13 MHRRRFRPWR 0.26
14 MHRWHFRPMR 0.26
15 MHRRRFRPLR 0.26
16 MHRRHFRRWR 0.26
17 MHRRHFRRLR 0.26
18 MHRRHFRDLR 0.27
19 MHRRHFRDWR 0.27
20 MHRWHFRPWR 0.29
21 MHRWHFRPLR 0.29
22 MHRRHYRPMR 0.32
23 MHRRHYRPLR 0.35
24 MHRRHYRPWR 0.35
25 MPRRFFRPMR 0.36
26 MPRRFFRPLR 0.39
27 MHRRFFRRMR 0.39
28 MPRRFFRPWR 0.39
29 MHRRFFRDMR 0.4
30 MPRRRFRPMR 0.42
31 MHRWFFRPMR 0.42
32 MHRRFFRRWR 0.42
33 MPRRHFRRMR 0.42
34 MHRRFFRRLR 0.42
35 MHRRFFRDWR 0.43
36 MPRRHFRDMR 0.43
37 MHRRFFRDLR 0.43
38 MPRRHFRRWR 0.45
39 MPRWHFRPMR 0.45
40 MPRRRFRPLR 0.45
41 MHRWFFRPWR 0.45
42 MPRRRFRPWR 0.45
43 MHRRRFRRMR 0.45
44 MHRWFFRPLR 0.45
45 MPRRHFRDWR 0.46
46 MPRRHFRRLR 0.46
47 MHRRRFRDMR 0.46
48 MPRRHFRDLR 0.47
49 MHRRRFRRLR 0.48
50 MHRWHFRRMR 0.48
51 MHRRFYRPMR 0.48
52 MHRWRFRPMR 0.48
53 MHRRRFRRWR 0.48
54 MPRWHFRPWR 0.49
55 MPRWHFRPLR 0.49
56 MHRWHFRDMR 0.49
57 MHRRRFRDLR 0.49
58 MHRRRFRDWR 0.49
59 MHRRHFMPMR 0.49
60 MPRRHYRPMR 0.51
61 MHRRFYRPWR 0.51
62 MHRWRFRPWR 0.51
63 MHRWHFRRWR 0.51
64 MHRRFYRPLR 0.51
65 MHRWHFRRLR 0.52
66 MHRWRFRPLR 0.52
67 MHRWHFRDWR 0.53
68 MHRRHFMPWR 0.53
69 MHRRHFMPLR 0.53
70 MHRWHFRDLR 0.53
71 MHRRRYRPMR 0.54
72 MHRRHYRRMR 0.54
73 MPRRHYRPWR 0.55
74 MPRRHYRPLR 0.55
75 MHRRHYRDMR 0.55
76 MHRWHYRPMR 0.57
77 MHRRRYRPWR 0.57
78 MHRRHYRRWR 0.57
79 MHRRHYRDWR 0.58
80 MHRRRYRPLR 0.58
81 MHRRHYRRLR 0.58
82 MPRRFFRRMR 0.58
83 MHRRHYRDLR 0.59
84 MPRRFFRDMR 0.59
85 MPRRFFRRWR 0.61
86 MHRWHYRPWR 0.61
87 MHRWHYRPLR 0.61
88 MPRWFFRPMR 0.61
89 MPRRFFRDWR 0.62
90 MPRRFFRRLR 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRRRFRPMR

7.96

-15.19

-7.23
2 MPRRHFRPLR

6.97

-14.07

-7.1
3 MHRRHFRDMR

6.74

-13.17

-6.43
4 MPRRHFRPMR

7.7

-14.09

-6.39
5 MPRRFFRPWR

7.36

-13.74

-6.38
6 MPRRHFRPWR

7.64

-13.98

-6.34
7 MHRRHFRRWR

6.83

-13.17

-6.34
8 MHRRRFRPMR

7.23

-13.47

-6.24
9 MPRRFFRPMR

6.22

-12.45

-6.23
10 MPRRFFRPLR

7.64

-13.82

-6.18
11 MHRRHFRDLR

6.95

-13.13

-6.18
12 MHRWHFRPLR

6.64

-12.69

-6.05
13 MHRRFFRRMR

6.76

-12.73

-5.97
14 MHRRHFRRLR

7.17

-13.03

-5.86
15 MHRRRFRPWR

6.79

-12.4

-5.61
16 MHRRRFRPLR

6.59

-12.06

-5.47
17 MHRRFFRPMR

7.39

-12.65

-5.26
18 MHRRHYRPMR

7.03

-12.27

-5.24
19 MHRRFFRPWR

6.37

-11.59

-5.22
20 MHRWHFRPMR

6.75

-11.96

-5.21
21 MHRRFFRDMR

6.45

-11.53

-5.08
22 MHRWHFRPWR

6.73

-11.8

-5.07
23 MHRRHFRPWR

6.77

-11.82

-5.05
24 MHRRHFRPLR

6.86

-11.62

-4.76
25 MHRRHYRPWR

6.97

-11.56

-4.59
26 MHRRFFRPLR

8.47

-12.61

-4.14
27 MHRRHFRRMR

6.64

-10.22

-3.58
28 MHRRHFRDWR

6.63

-10.14

-3.51
29 MHRRHYRPLR

8.82

-11.78

-2.96
30 MHRRHFRPMR

7.2

-9.49

-2.29

 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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