Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-4.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 7.994 ΔGbinding -3.713
TOTAL
 4.281
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.951
Van der Waals -5.391 Backbone clash 0.236
Electrostatics -0.284 Helix dipole 0.000
Solvation Polar 5.866 Water bridges 0.008
Solvation Hyd -7.697 Disulfide 0.000
VdW clashes 1.812 Electrost. Kon -0.428
Entropy sc 0.867 Part.cov.bonds 0.000
Entropy mc

3.134

 ΔGstability

101.635
       

Predicted ligand sequences for model [SLA1-D1_2A28-4.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-D1_2A28-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPRYPRRVR 0.0
2 RWRRYPRRVR 0.0
3 RWPRYPRRVH 0.01
4 RWRRYPRRVH 0.01
5 RWRRYPRRPR 0.06
6 RWPRYPRRPR 0.06
7 RWRRYPRRPH 0.07
8 RWPRYPRRPH 0.07
9 RWPRYPRRRR 0.09
10 RWRRYPRRRR 0.09
11 RWPRYPRRRH 0.1
12 RWKRYPRRVR 0.1
13 RWRRYPRRRH 0.1
14 RWKRYPRRVH 0.11
15 RWPRYPRRVW 0.13
16 RWRRYPRRVW 0.13
17 RPRRYPRRVR 0.16
18 RPPRYPRRVR 0.16
19 RWKRYPRRPR 0.16
20 RPRRYPRRVH 0.17
21 RPPRYPRRVH 0.17
22 RWKRYPRRPH 0.17
23 RWKRYPRRRR 0.19
24 RWRRYPRRPW 0.2
25 RWKRYPRRRH 0.2
26 RWPRYPRRPW 0.2
27 RPPRYPRRPR 0.22
28 RPRRYPRRPR 0.22
29 RWRRYPRRRW 0.22
30 RWPRYPRRRW 0.22
31 RPPRYPRRPH 0.23
32 RPRRYPRRPH 0.23
33 RWKRYPRRVW 0.23
34 RPRRYPRRRR 0.25
35 RPPRYPRRRR 0.25
36 RPKRYPRRVR 0.26
37 RPRRYPRRRH 0.26
38 RPPRYPRRRH 0.26
39 RPKRYPRRVH 0.27
40 RPRRYPRRVW 0.29
41 RPPRYPRRVW 0.29
42 RWKRYPRRPW 0.3
43 RPKRYPRRPR 0.32
44 RWKRYPRRRW 0.32
45 RPKRYPRRPH 0.33
46 RWRRYRRRVR 0.34
47 RWPRYRRRVR 0.34
48 RPPRYPRRPW 0.35
49 RPRRYPRRPW 0.35
50 RPKRYPRRRR 0.35
51 RWRRYRRRVH 0.35
52 RWPRYRRRVH 0.35
53 RPKRYPRRRH 0.36
54 RPRRYPRRRW 0.38
55 RPPRYPRRRW 0.38
56 RPKRYPRRVW 0.39
57 RWRRYRRRPR 0.41
58 RWPRYRRRPR 0.41
59 RWRRYRRRPH 0.42
60 RWPRYRRRPH 0.42
61 RWRRYRRRRR 0.43
62 RWPRYRRRRR 0.43
63 RWKRYRRRVR 0.44
64 RWRRYRRRRH 0.44
65 RWPRYRRRRH 0.44
66 RPKRYPRRPW 0.45
67 RWKRYRRRVH 0.45
68 RWPRYPRPVR 0.45
69 RRPRYPRRVR 0.45
70 RRRRYPRRVR 0.45
71 RWRRYPRPVR 0.45
72 RRPRYPRRVH 0.46
73 RWPRYPRPVH 0.46
74 RRRRYPRRVH 0.46
75 RWRRYPRPVH 0.46
76 RPKRYPRRRW 0.48
77 RWRRYRRRVW 0.48
78 RWPRYRRRVW 0.48
79 RWRRYPRWVR 0.49
80 RWPRYPRWVR 0.49
81 RPRRYRRRVR 0.5
82 RPPRYRRRVR 0.5
83 RWRRYPRWVH 0.5
84 RWPRYPRWVH 0.5
85 RRPRYPRRPR 0.51
86 RPRRYRRRVH 0.51
87 RWKRYRRRPR 0.51
88 RPPRYRRRVH 0.51
89 RWRRYPRPPR 0.51
90 RRRRYPRRPR 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPRYPRRVH

7.41

-14.23

-6.82
2 RPRRYPRRVR

7.55

-13.98

-6.43
3 RPRRYPRRVH

5.85

-12.04

-6.19
4 RPPRYPRRPR

6.96

-12.13

-5.17
5 RPRRYPRRPR

8.07

-12.68

-4.61
6 RPPRYPRRVR

7.26

-11.76

-4.5
7 RWRRYPRRPH

6.6

-11.02

-4.42
8 RWKRYPRRVR

7.23

-11.63

-4.4
9 RWPRYPRRPH

6.88

-10.79

-3.91
10 RWPRYPRRPR

6.35

-10.21

-3.86
11 RWKRYPRRPH

7.16

-10.87

-3.71
12 RWRRYPRRPW

6.5

-10.2

-3.7
13 RWRRYPRRVR

7.73

-11.37

-3.64
14 RWPRYPRRRR

6.69

-9.82

-3.13
15 RWKRYPRRRH

7.34

-10.46

-3.12
16 RWPRYPRRVH

6.48

-9.59

-3.11
17 RWPRYPRRVW

6.45

-9.28

-2.83
18 RWRRYPRRVH

6.95

-9.77

-2.82
19 RWRRYPRRRH

7.08

-9.59

-2.51
20 RWRRYPRRVW

6.86

-9.31

-2.45
21 RWPRYPRRRH

7.84

-10.28

-2.44
22 RWKRYPRRPR

7.41

-9.7

-2.29
23 RWRRYPRRRW

7.05

-9.3

-2.25
24 RWRRYPRRRR

8.04

-10.29

-2.25
25 RWPRYPRRRW

7.53

-9.64

-2.11
26 RWPRYPRRVR

8.02

-10.02

-2.0
27 RWKRYPRRVH

6.4

-8.13

-1.73
28 RWRRYPRRPR

8.11

-9.83

-1.72
29 RWPRYPRRPW

6.57

-8.29

-1.72
30 RWKRYPRRRR

8.46

-9.07

-0.61

 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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