Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala 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 7.509 ΔGbinding -1.794
TOTAL
 5.715
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.304
Van der Waals -2.188 Backbone clash 0.062
Electrostatics -0.191 Helix dipole 0.000
Solvation Polar 2.536 Water bridges -0.064
Solvation Hyd -3.166 Disulfide 0.000
VdW clashes 0.228 Electrost. Kon -0.154
Entropy sc 0.356 Part.cov.bonds 0.000
Entropy mc

1.820

 ΔGstability

37.154
       

Predicted ligand sequences for model [SLA1-D3_1KA9-23.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_1KA9-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 NYPPRWM 0.0
2 NYPPRWF 0.01
3 NYPPHWM 0.03
4 NYPPPWM 0.03
5 NYPPHWF 0.05
6 NYPPPWF 0.05
7 NYPPRWR 0.05
8 NRPPRWM 0.06
9 NYPLRWM 0.06
10 NRPPRWF 0.07
11 NYPPHWR 0.08
12 NYPLRWF 0.08
13 NYPPPWR 0.08
14 NRPPHWM 0.09
15 NRPPPWM 0.09
16 NYPLPWM 0.09
17 NRPPHWF 0.1
18 NRPPPWF 0.1
19 NRPPRWR 0.1
20 NYPLHWM 0.1
21 NYPLRWR 0.11
22 NYPLHWF 0.11
23 NYPLPWF 0.11
24 NRPLRWM 0.12
25 NRPPPWR 0.13
26 NYFPRWM 0.13
27 NRPLRWF 0.13
28 NYRPRWM 0.13
29 NRPPHWR 0.14
30 NYPLHWR 0.14
31 NYPLPWR 0.14
32 NYFPRWF 0.14
33 NRPLPWM 0.15
34 NRPLHWM 0.15
35 NYRPRWF 0.15
36 NYFPPWM 0.16
37 NRPLPWF 0.16
38 NYFPHWM 0.16
39 NYFPPWF 0.17
40 NRPLHWF 0.17
41 NRPLRWR 0.17
42 NYRPHWM 0.17
43 NYRPPWM 0.17
44 NYFPRWR 0.17
45 NYFPHWF 0.17
46 NRFPRWM 0.18
47 NYRPRWR 0.18
48 NYRPHWF 0.18
49 NYRPPWF 0.18
50 NYFLRWM 0.19
51 NRRPRWM 0.19
52 NRPLPWR 0.2
53 NRFPRWF 0.2
54 NYRLRWM 0.2
55 NRPLHWR 0.2
56 NYFPPWR 0.21
57 YYPPRWM 0.21
58 NYRPHWR 0.21
59 NYRLRWF 0.21
60 NYRPPWR 0.21
61 NRFPPWM 0.21
62 NYFLRWF 0.21
63 NRRPRWF 0.21
64 NYFPHWR 0.21
65 NRRPHWM 0.22
66 YYPPRWF 0.22
67 NRFPHWM 0.22
68 NRRPPWM 0.22
69 NYFLHWM 0.22
70 NYFLPWM 0.22
71 NRFPRWR 0.23
72 NRFPHWF 0.23
73 NYRLHWM 0.23
74 NRFPPWF 0.23
75 NYRLPWM 0.23
76 NRRPHWF 0.24
77 YYPPHWM 0.24
78 NPPPRWM 0.24
79 NYRLRWR 0.24
80 NYFLRWR 0.24
81 NYRLHWF 0.24
82 YYPPPWM 0.24
83 NRRPPWF 0.24
84 NYPPRMM 0.24
85 NYFLHWF 0.24
86 NRRPRWR 0.24
87 NYFLPWF 0.24
88 NYRLPWF 0.24
89 YYPPRWR 0.25
90 YYPPHWF 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NRPPRWM

3.89

-6.7

-2.81
2 NYRPRWM

3.84

-6.63

-2.79
3 NYPPPWM

3.8

-6.02

-2.22
4 NRPPHWM

3.98

-6.17

-2.19
5 NRPPHWR

4.1

-6.23

-2.13
6 NRPPRWR

4.0

-6.12

-2.12
7 NYPPHWM

3.76

-5.84

-2.08
8 NYPPRWR

4.17

-6.18

-2.01
9 NRPPPWR

3.83

-5.78

-1.95
10 NYPPHWF

3.5

-5.36

-1.86
11 NRPPHWF

3.87

-5.69

-1.82
12 NRPPPWF

3.77

-5.55

-1.78
13 NYPPRWM

3.94

-5.68

-1.74
14 NYPPRWF

3.92

-5.64

-1.72
15 NYPPPWF

3.54

-5.22

-1.68
16 NYPLPWM

4.22

-5.88

-1.66
17 NYPLRWR

4.26

-5.9

-1.64
18 NRPPPWM

3.68

-5.29

-1.61
19 NYPPPWR

3.9

-5.35

-1.45
20 NYPLHWR

4.34

-5.58

-1.24
21 NYPPHWR

3.96

-5.1

-1.14
22 NYPLRWM

4.89

-6.01

-1.12
23 NYFPRWM

4.99

-6.09

-1.1
24 NRPLRWM

3.94

-4.94

-1.0
25 NRPLRWF

3.76

-4.68

-0.92
26 NYPLHWM

3.93

-4.59

-0.66
27 NYPLPWF

3.61

-4.19

-0.58
28 NYPLRWF

3.79

-4.29

-0.5
29 NRPPRWF

4.38

-4.15

0.23
30 NYPLHWF

4.87

-3.91

0.96

 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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