Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 8.756 ΔGbinding -3.517
TOTAL
 5.239
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.285
Van der Waals -5.678 Backbone clash 0.428
Electrostatics 0.021 Helix dipole 0.000
Solvation Polar 6.432 Water bridges -0.191
Solvation Hyd -8.512 Disulfide 0.000
VdW clashes 1.630 Electrost. Kon -0.030
Entropy sc 0.978 Part.cov.bonds 0.000
Entropy mc

1.823

 ΔGstability

56.422
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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).
 
  SLA1-D3_UJ0-CSK-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 NRPRRPRWPR 0.0
2 NRPRRPRRPR 0.09
3 RRPRRPRWPR 0.11
4 NRPRRPRWPW 0.13
5 PRPRRPRWPR 0.14
6 NRPRRRRWPR 0.18
7 RRPRRPRRPR 0.2
8 NRRRRPRWPR 0.22
9 NRPRRPRRPW 0.22
10 PRPRRPRRPR 0.23
11 NRKRRPRWPR 0.23
12 RRPRRPRWPW 0.24
13 NRPRRRRRPR 0.27
14 PRPRRPRWPW 0.27
15 RRPRRRRWPR 0.29
16 NRPRRRRWPW 0.31
17 NRRRRPRRPR 0.31
18 NRKRRPRRPR 0.32
19 PRPRRRRWPR 0.32
20 NRPRRPREPR 0.32
21 RRRRRPRWPR 0.32
22 RRPRRPRRPW 0.33
23 NRPRRPRWPH 0.33
24 RRKRRPRWPR 0.34
25 NRPRRHRWPR 0.34
26 PRRRRPRWPR 0.35
27 NRRRRPRWPW 0.35
28 PRPRRPRRPW 0.36
29 NRKRRPRWPW 0.36
30 PRKRRPRWPR 0.37
31 RRPRRRRRPR 0.38
32 NRPRRRRRPW 0.4
33 NRRRRRRWPR 0.4
34 RRRRRPRRPR 0.41
35 PRPRRRRRPR 0.41
36 RRPRRRRWPW 0.42
37 NRKRRRRWPR 0.42
38 NRPRRPRRPH 0.42
39 RRPRRPREPR 0.43
40 RRKRRPRRPR 0.43
41 RRPRRPRWPH 0.43
42 NRPRRHRRPR 0.43
43 PRRRRPRRPR 0.44
44 NRRRRPRRPW 0.44
45 PRPRRRRWPW 0.45
46 NRPRRPREPW 0.45
47 RRRRRPRWPW 0.45
48 RRPRRHRWPR 0.45
49 NRKRRPRRPW 0.46
50 PRPRRPRWPH 0.46
51 PRPRRPREPR 0.46
52 PRKRRPRRPR 0.46
53 RRKRRPRWPW 0.47
54 NRPRRHRWPW 0.47
55 PRPRRHRWPR 0.48
56 NRRRRRRRPR 0.49
57 PRRRRPRWPW 0.49
58 NRPRRRREPR 0.5
59 PRKRRPRWPW 0.5
60 RRRRRRRWPR 0.51
61 NRPRRRRWPH 0.51
62 RRPRRRRRPW 0.51
63 NRKRRRRRPR 0.51
64 RRPRRPRRPH 0.52
65 RRKRRRRWPR 0.52
66 NRRRRRRWPW 0.53
67 RRRRRPRRPW 0.54
68 PRPRRRRRPW 0.54
69 NRRRRPREPR 0.54
70 RRPRRHRRPR 0.54
71 PRRRRRRWPR 0.54
72 NRRRRPRWPH 0.54
73 NRKRRRRWPW 0.55
74 PRPRRPRRPH 0.55
75 PRKRRRRWPR 0.55
76 NRKRRPREPR 0.56
77 NRRRRHRWPR 0.56
78 RRPRRPREPW 0.56
79 NRKRRPRWPH 0.56
80 RRKRRPRRPW 0.56
81 NRPRRHRRPW 0.56
82 PRPRRHRRPR 0.57
83 NRKRRHRWPR 0.57
84 PRRRRPRRPW 0.58
85 RRPRRHRWPW 0.58
86 PRKRRPRRPW 0.59
87 PRPRRPREPW 0.59
88 NRPRRRRRPH 0.6
89 RRRRRRRRPR 0.6
90 RRPRRRRWPH 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 NRRRRPRRPR

4.47

-17.21

-12.74
2 NRPRRPRWPH

4.75

-15.72

-10.97
3 NRPRRPRRPR

4.92

-15.78

-10.86
4 NRRRRPRWPW

4.86

-15.68

-10.82
5 PRKRRPRWPR

3.4

-13.83

-10.43
6 NRPRRPRWPR

4.9

-15.18

-10.28
7 NRPRRRRWPR

4.72

-14.99

-10.27
8 NRPRRPRRPW

3.99

-14.08

-10.09
9 PRRRRPRWPR

3.65

-13.61

-9.96
10 PRPRRPRWPW

4.05

-13.82

-9.77
11 PRPRRPRRPR

4.73

-14.45

-9.72
12 NRPRRRRWPW

5.04

-14.5

-9.46
13 PRPRRRRWPR

5.11

-14.4

-9.29
14 NRKRRPRRPR

3.98

-12.76

-8.78
15 NRKRRPRWPR

3.42

-11.99

-8.57
16 RRPRRPRWPW

3.92

-12.39

-8.47
17 NRPRRHRWPR

3.28

-11.74

-8.46
18 PRPRRPRRPW

4.41

-12.79

-8.38
19 NRPRRPRWPW

4.65

-12.96

-8.31
20 NRPRRPREPR

4.47

-12.68

-8.21
21 NRKRRPRWPW

3.95

-11.99

-8.04
22 RRPRRPRRPW

4.85

-12.72

-7.87
23 RRRRRPRWPR

3.51

-11.25

-7.74
24 PRPRRPRWPR

5.52

-13.22

-7.7
25 RRPRRPRRPR

4.21

-11.45

-7.24
26 RRPRRRRWPR

4.05

-10.8

-6.75
27 NRRRRPRWPR

4.41

-11.08

-6.67
28 NRPRRRRRPR

4.23

-10.47

-6.24
29 RRKRRPRWPR

3.74

-9.37

-5.63
30 RRPRRPRWPR

5.85

-10.36

-4.51

 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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