Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 0.772 ΔGbinding -1.635
TOTAL
 -0.863
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.301
Van der Waals -2.345 Backbone clash 0.137
Electrostatics -0.253 Helix dipole 0.000
Solvation Polar 2.860 Water bridges -0.027
Solvation Hyd -3.482 Disulfide 0.000
VdW clashes 0.603 Electrost. Kon -0.227
Entropy sc 0.462 Part.cov.bonds 0.000
Entropy mc

1.747

 ΔGstability

51.094
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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_UJ0-CSK-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRRLRWM 0.0
2 FRRLPWM 0.01
3 FRRPRWM 0.03
4 FRRPPWM 0.04
5 FPRLRWM 0.04
6 FPRLPWM 0.05
7 FPRPRWM 0.08
8 RRRLPWM 0.09
9 RRRLRWM 0.09
10 FPRPPWM 0.09
11 FRMLRWM 0.12
12 RRRPRWM 0.12
13 RPRLRWM 0.13
14 RRRPPWM 0.13
15 FRMLPWM 0.13
16 RPRLPWM 0.14
17 FRMPPWM 0.16
18 FRMPRWM 0.16
19 RPRPRWM 0.16
20 FPMLPWM 0.17
21 RPRPPWM 0.17
22 FPMLRWM 0.17
23 FKRLRWM 0.2
24 FPMPRWM 0.2
25 RRMLRWM 0.21
26 FKRLPWM 0.21
27 FRQLRWM 0.21
28 FPMPPWM 0.21
29 RRMLPWM 0.22
30 FRRLKWM 0.22
31 FRQLPWM 0.22
32 RRMPRWM 0.24
33 FRQPRWM 0.24
34 FKRPPWM 0.24
35 FKRPRWM 0.24
36 FRRPKWM 0.25
37 FPQLRWM 0.25
38 FRQPPWM 0.25
39 RRMPPWM 0.25
40 RPMLRWM 0.25
41 FPRLKWM 0.26
42 FRRLRWY 0.26
43 FPQLPWM 0.26
44 RPMLPWM 0.26
45 FRRLPWY 0.27
46 FPQPPWM 0.29
47 RPMPPWM 0.29
48 RKRLRWM 0.29
49 RKRLPWM 0.29
50 FRRPRWY 0.29
51 RRQLRWM 0.29
52 FPQPRWM 0.29
53 RPMPRWM 0.29
54 RRRLKWM 0.3
55 FPRPKWM 0.3
56 RRQLPWM 0.3
57 FRRPPWY 0.3
58 FPRLRWY 0.3
59 FPRLPWY 0.31
60 RKRPRWM 0.32
61 FKMLRWM 0.32
62 RRQPPWM 0.33
63 FKMLPWM 0.33
64 RRQPRWM 0.33
65 RKRPPWM 0.33
66 FRMLKWM 0.34
67 RRRLRWY 0.34
68 RPQLRWM 0.34
69 RRRPKWM 0.34
70 FPRPRWY 0.34
71 RPQLPWM 0.34
72 FPRPPWY 0.34
73 RRRLPWY 0.35
74 RPRLKWM 0.35
75 FKMPRWM 0.36
76 FKMPPWM 0.36
77 FRRLPRM 0.37
78 RPQPRWM 0.37
79 FRRLRRM 0.37
80 FRMLRWY 0.38
81 RPQPPWM 0.38
82 RPRPKWM 0.38
83 FRRLRWF 0.38
84 RRRPRWY 0.38
85 FRMPKWM 0.38
86 FPMLKWM 0.39
87 RPRLRWY 0.39
88 FRRLPWF 0.39
89 RRRPPWY 0.39
90 FRMLPWY 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRLRWM

0.9

-9.96

-9.06
2 FRRLRWM

1.23

-10.08

-8.85
3 RRMLPWM

1.13

-9.79

-8.66
4 RRMLRWM

1.08

-9.74

-8.66
5 RRRPPWM

0.94

-9.18

-8.24
6 RPRLRWM

0.93

-9.1

-8.17
7 RPRLPWM

1.02

-8.45

-7.43
8 FPMLRWM

0.47

-7.84

-7.37
9 FRQLRWM

1.02

-8.11

-7.09
10 RRRPRWM

1.58

-8.59

-7.01
11 FRRLKWM

0.64

-7.5

-6.86
12 FKRLPWM

0.46

-7.19

-6.73
13 RRRLPWM

1.66

-8.32

-6.66
14 FPRLRWM

0.68

-7.31

-6.63
15 FPMLPWM

0.55

-7.15

-6.6
16 FPRLPWM

0.66

-7.18

-6.52
17 FRMLRWM

0.86

-7.32

-6.46
18 FRMLPWM

0.83

-7.15

-6.32
19 FKRLRWM

0.8

-7.01

-6.21
20 FPMPPWM

0.42

-6.07

-5.65
21 RPRPRWM

2.11

-7.55

-5.44
22 FRRLPWM

0.62

-5.98

-5.36
23 FRRPRWM

1.47

-5.7

-4.23
24 RPRPPWM

2.29

-6.48

-4.19
25 FRMPRWM

1.99

-5.91

-3.92
26 FPMPRWM

1.39

-5.28

-3.89
27 FPRPPWM

1.28

-4.84

-3.56
28 FRRPPWM

2.35

-5.51

-3.16
29 FRMPPWM

2.23

-5.08

-2.85
30 FPRPRWM

1.42

-4.25

-2.83

 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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