Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-29.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 3.766 ΔGbinding -0.917
TOTAL
 2.849
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.481
Van der Waals -3.679 Backbone clash -0.000
Electrostatics 0.044 Helix dipole 0.000
Solvation Polar 3.923 Water bridges 0.000
Solvation Hyd -4.857 Disulfide 0.000
VdW clashes 0.168 Electrost. Kon 0.007
Entropy sc 0.348 Part.cov.bonds 0.000
Entropy mc

2.649

 ΔGstability

80.766
       

Predicted ligand sequences for model [SLA1-D2_1JO8-29.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_1JO8-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPIHKRWK 0.0
2 HYPPIHRRWK 0.0
3 HYPPIHRRWR 0.01
4 HYPPIHKRWR 0.01
5 HYPPIHKRWH 0.02
6 HYPPIHRRWH 0.02
7 HKPPIHRRWK 0.03
8 RYPPIHKRWK 0.04
9 RYPPIHRRWK 0.04
10 RYPPIHRRWR 0.04
11 HKPPIHKRWR 0.04
12 HKPPIHKRWK 0.04
13 HKPPIHRRWR 0.04
14 HYPPMHKRWK 0.05
15 RYPPIHKRWR 0.05
16 HYPPMHRRWK 0.05
17 HKPPIHRRWH 0.05
18 HYPPMHKRWR 0.06
19 RYPPIHKRWH 0.06
20 RYPPIHRRWH 0.06
21 HKPPIHKRWH 0.06
22 HYPPMHRRWR 0.06
23 RKPPIHRRWK 0.07
24 HYPPMHKRWH 0.07
25 HYPPMHRRWH 0.07
26 RKPPIHKRWK 0.07
27 KYPPIHRRWK 0.08
28 RKPPIHRRWR 0.08
29 KYPPIHKRWK 0.08
30 HYPPIHPRWK 0.08
31 HKPPMHRRWK 0.08
32 RKPPIHKRWR 0.08
33 KYPPIHRRWR 0.09
34 RYPPMHKRWK 0.09
35 RKPPIHRRWH 0.09
36 KYPPIHKRWR 0.09
37 RYPPMHRRWK 0.09
38 HKPPMHRRWR 0.09
39 HYPPIHPRWR 0.09
40 RYPPMHRRWR 0.09
41 RKPPIHKRWH 0.09
42 HKPPMHKRWR 0.09
43 HKPPMHKRWK 0.09
44 KYPPIHRRWH 0.1
45 RYPPMHKRWR 0.1
46 KYPPIHKRWH 0.1
47 HKPPMHRRWH 0.1
48 HYPWIHRRWK 0.1
49 HYPPIHPRWH 0.1
50 RYPPMHKRWH 0.11
51 HKPPIHPRWK 0.11
52 HYPWIHRRWR 0.11
53 KKPPIHRRWK 0.11
54 RYPPMHRRWH 0.11
55 KKPPIHKRWK 0.11
56 HYPWIHKRWR 0.11
57 HYPWIHKRWK 0.11
58 HKPPMHKRWH 0.11
59 RYPPIHPRWK 0.12
60 RYPPIHPRWR 0.12
61 HKPPIHPRWR 0.12
62 RKPPMHRRWK 0.12
63 HYPWIHRRWH 0.12
64 KKPPIHRRWR 0.12
65 RKPPMHKRWK 0.12
66 KKPPIHKRWR 0.12
67 KYPPMHRRWK 0.13
68 HKPPIHPRWH 0.13
69 RKPPMHRRWR 0.13
70 KYPPMHKRWK 0.13
71 KKPPIHRRWH 0.13
72 RKPPMHKRWR 0.13
73 HYPWIHKRWH 0.13
74 HYPPMHPRWK 0.13
75 RYPPIHPRWH 0.14
76 KYPPMHRRWR 0.14
77 RYPWIHRRWK 0.14
78 KKPPIHKRWH 0.14
79 HYPFIHKRWK 0.14
80 HKPWIHKRWK 0.14
81 HKPWIHRRWK 0.14
82 RKPPMHRRWH 0.14
83 KYPPMHKRWR 0.14
84 RKPPMHKRWH 0.14
85 RYPWIHKRWK 0.14
86 HYPFIHRRWK 0.14
87 HYPPMHPRWR 0.14
88 KYPPMHRRWH 0.15
89 RYPWIHRRWR 0.15
90 HYPFIHKRWR 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HYPPMHRRWR

4.0

-16.72

-12.72
2 RKPPIHRRWR

4.1

-16.57

-12.47
3 HYPPIHRRWK

3.89

-16.28

-12.39
4 HYPPMHKRWK

3.77

-16.02

-12.25
5 HYPPMHRRWK

3.87

-16.11

-12.24
6 RYPPIHRRWH

4.0

-16.02

-12.02
7 HYPPIHRRWH

4.01

-15.98

-11.97
8 HKPPIHRRWR

4.06

-15.98

-11.92
9 HYPPMHRRWH

4.2

-16.12

-11.92
10 KYPPIHRRWK

3.78

-15.65

-11.87
11 RKPPIHRRWK

3.88

-15.71

-11.83
12 HYPPIHKRWR

3.78

-15.54

-11.76
13 HYPPMHKRWR

3.59

-15.25

-11.66
14 HKPPIHKRWR

3.69

-15.15

-11.46
15 RYPPIHRRWR

4.13

-15.59

-11.46
16 HYPPMHKRWH

3.87

-15.16

-11.29
17 HKPPIHRRWK

3.98

-15.23

-11.25
18 HYPPIHPRWK

3.89

-15.1

-11.21
19 HYPPIHKRWH

3.81

-14.93

-11.12
20 HYPPIHRRWR

4.21

-15.27

-11.06
21 RYPPIHRRWK

3.89

-14.81

-10.92
22 HKPPIHRRWH

3.91

-14.81

-10.9
23 RYPPIHKRWR

3.71

-14.54

-10.83
24 HKPPIHKRWK

3.93

-14.75

-10.82
25 HKPPIHKRWH

3.81

-14.58

-10.77
26 RYPPIHKRWK

4.17

-14.75

-10.58
27 RYPPIHKRWH

3.98

-14.35

-10.37
28 HYPPIHKRWK

3.95

-14.18

-10.23
29 KYPPIHKRWK

4.85

-15.0

-10.15
30 RKPPIHKRWK

3.86

-13.37

-9.51

 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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