Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-1.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 2.246 ΔGbinding -3.362
TOTAL
 -1.116
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.984
Van der Waals -4.717 Backbone clash 0.430
Electrostatics -0.186 Helix dipole 0.000
Solvation Polar 4.833 Water bridges -0.000
Solvation Hyd -6.902 Disulfide 0.000
VdW clashes 0.342 Electrost. Kon -0.251
Entropy sc 0.945 Part.cov.bonds 0.000
Entropy mc

2.867

 ΔGstability

60.426
       

Predicted ligand sequences for model [SLA1-D2_1OV33-1.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-D2_1OV33-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 FNRRRLRRMF 0.0
2 FNRRRFRRMF 0.01
3 FNRRHLRRMF 0.07
4 FNRRHFRRMF 0.08
5 FNRIRLRRMF 0.09
6 FNRIRFRRMF 0.1
7 FPRRRLRRMF 0.11
8 FNRRKLRRMF 0.11
9 FPRRRFRRMF 0.12
10 FNRRKFRRMF 0.13
11 FNRIHLRRMF 0.15
12 FNRIHFRRMF 0.17
13 FPRRHLRRMF 0.17
14 FPRRHFRRMF 0.19
15 FPRIRLRRMF 0.2
16 FNRIKLRRMF 0.2
17 FPRIRFRRMF 0.21
18 FNRIKFRRMF 0.22
19 FPRRKLRRMF 0.22
20 FNRHRLRRMF 0.24
21 FPRRKFRRMF 0.24
22 FNRHRFRRMF 0.25
23 FNRRRLRDMF 0.25
24 FNRRRPRRMF 0.25
25 WNRRRLRRMF 0.25
26 FPRIHLRRMF 0.26
27 FNRRRFRDMF 0.26
28 WNRRRFRRMF 0.27
29 FPRIHFRRMF 0.28
30 FNRHHLRRMF 0.3
31 FNRRHLRDMF 0.31
32 FPRIKLRRMF 0.31
33 FNRHHFRRMF 0.32
34 FPRIKFRRMF 0.32
35 WNRRHLRRMF 0.32
36 FNRRHPRRMF 0.32
37 WNRRHFRRMF 0.33
38 FNRRHFRDMF 0.33
39 WNRIRLRRMF 0.34
40 FNRIRLRDMF 0.34
41 FPRHRLRRMF 0.34
42 FNRIRPRRMF 0.34
43 FNKRRLRRMF 0.34
44 FNRRRLRPMF 0.35
45 WNRIRFRRMF 0.35
46 FNRHKLRRMF 0.35
47 FNKRRFRRMF 0.35
48 FNRIRFRDMF 0.35
49 FPRHRFRRMF 0.36
50 WNRRKLRRMF 0.36
51 FNRHKFRRMF 0.36
52 FNRRRLRRMY 0.36
53 FNRRRFRPMF 0.36
54 WPRRRLRRMF 0.36
55 FPRRRLRDMF 0.36
56 FPRRRPRRMF 0.36
57 FNRRKLRDMF 0.36
58 FNRRKPRRMF 0.37
59 FPRRRFRDMF 0.37
60 FNRRKFRDMF 0.38
61 WPRRRFRRMF 0.38
62 FNSRRLRRMF 0.38
63 FNRRRFRRMY 0.38
64 WNRRKFRRMF 0.38
65 MNRRRLRRMF 0.39
66 FNKRHLRRMF 0.4
67 FNSRRFRRMF 0.4
68 MNRRRFRRMF 0.4
69 WNRIHLRRMF 0.4
70 FNRIHLRDMF 0.4
71 FPRHHLRRMF 0.41
72 FNRIHPRRMF 0.41
73 FNRRHLRPMF 0.41
74 FNKIRLRRMF 0.42
75 FPRRHLRDMF 0.42
76 FNRIHFRDMF 0.42
77 FPRHHFRRMF 0.42
78 WNRIHFRRMF 0.42
79 FNKRHFRRMF 0.42
80 FNRRRLRRFF 0.42
81 FNRRHFRPMF 0.43
82 FNRIRLRPMF 0.43
83 FPRRHPRRMF 0.43
84 FNRRHLRRMY 0.43
85 WPRRHLRRMF 0.43
86 FPRRHFRDMF 0.44
87 FNRRRFRRFF 0.44
88 WPRRHFRRMF 0.44
89 FNKIRFRRMF 0.44
90 FPKRRLRRMF 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPRRKFRRMF

4.65

-14.66

-10.01
2 FPRIRLRRMF

5.13

-14.71

-9.58
3 FPRIHFRRMF

4.92

-14.29

-9.37
4 FPRRKLRRMF

5.16

-14.47

-9.31
5 FPRIRFRRMF

6.1

-15.33

-9.23
6 FPRRHFRRMF

4.87

-13.92

-9.05
7 FPRRRLRRMF

4.6

-13.37

-8.77
8 FPRIHLRRMF

5.17

-13.68

-8.51
9 FPRRRFRRMF

5.93

-14.2

-8.27
10 FNRRKLRRMF

6.04

-13.93

-7.89
11 FPRRHLRRMF

4.62

-11.81

-7.19
12 FNRRHLRRMF

6.27

-13.23

-6.96
13 FNRRRLRRMF

6.13

-13.08

-6.95
14 FNRIRFRRMF

5.88

-12.71

-6.83
15 FNRRRPRRMF

5.37

-12.18

-6.81
16 WNRRRLRRMF

6.47

-13.19

-6.72
17 FNRIKLRRMF

4.73

-11.2

-6.47
18 FNRRRFRRMF

6.57

-13.03

-6.46
19 FNRRRFRDMF

6.57

-12.78

-6.21
20 FNRIKFRRMF

6.31

-12.36

-6.05
21 FNRHRLRRMF

5.97

-11.93

-5.96
22 WNRRRFRRMF

5.49

-10.84

-5.35
23 FNRRKFRRMF

5.25

-10.42

-5.17
24 FNRRRLRDMF

6.12

-11.28

-5.16
25 FNRIRLRRMF

7.04

-11.92

-4.88
26 FNRIHLRRMF

6.13

-10.89

-4.76
27 FNRRHFRRMF

6.12

-10.45

-4.33
28 FNRHHLRRMF

7.6

-11.06

-3.46
29 FNRIHFRRMF

6.71

-9.84

-3.13
30 FNRHRFRRMF

6.12

-8.29

-2.17

 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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