Predicted ligand sequences


ADAN-name: 1PRM2.PDB (view again the scoring matrix)

PDB name: [1PRM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A F A P P L P R R
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 7.668 ΔGbinding -7.800
TOTAL
 -0.132
Backbone Hb -0.640 Cis_bond 0.000
Sidechain Hb -3.100 Torsional clash 0.150
Van der Waals -5.790 Backbone clash 0.430
Electrostatics -1.360 Helix dipole 0.000
Solvation Polar 5.120 Water bridges -0.160
Solvation Hyd -7.920 Disulfide 0.000
VdW clashes 2.030 Electrost. Kon -0.620
Entropy sc 3.150 Part.cov.bonds 0.000
Entropy mc

1.350

 ΔGstability

46.480
       

Predicted ligand sequences for template [1PRM2.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).
 
  1PRM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKKRLKHW 0.0
2 RRKKWLKHW 0.02
3 RRKKHLKHW 0.02
4 HRKKRLKHW 0.03
5 KRKKRLKHW 0.03
6 RRKKRLKRW 0.04
7 HRKKHLKHW 0.05
8 KRKKHLKHW 0.05
9 HRKKWLKHW 0.05
10 KRKKWLKHW 0.05
11 RRKKRLRHW 0.05
12 RRKRRLKHW 0.06
13 RRKKWLKRW 0.06
14 RRKKHLKRW 0.06
15 RRKPRLKHW 0.07
16 KRKKRLKRW 0.07
17 RRKKRLKKW 0.07
18 HRKKRLKRW 0.07
19 RRKKWLRHW 0.07
20 RRKKHLRHW 0.07
21 KRKKRLRHW 0.08
22 HRKKRLRHW 0.08
23 RRKRHLKHW 0.08
24 RRKRWLKHW 0.08
25 KRKKHLKRW 0.09
26 HRKKWLKRW 0.09
27 RRKKHLKKW 0.09
28 KRKRRLKHW 0.09
29 RRKKWLKKW 0.09
30 KRKKWLKRW 0.09
31 RRKPWLKHW 0.09
32 RRKKRLRRW 0.09
33 HRKKHLKRW 0.09
34 HRKRRLKHW 0.09
35 RRKPHLKHW 0.09
36 RRKRRLKRW 0.1
37 HRKKHLRHW 0.1
38 KRKKHLRHW 0.1
39 KRKPRLKHW 0.1
40 KRKKWLRHW 0.1
41 HRKKWLRHW 0.1
42 HRKKRLKKW 0.1
43 HRKPRLKHW 0.1
44 KRKKRLKKW 0.1
45 HRKRWLKHW 0.11
46 RRKKHLRRW 0.11
47 RRKKWLRRW 0.11
48 RRKRRLRHW 0.11
49 RRKPRLKRW 0.11
50 KRKRHLKHW 0.11
51 KRKRWLKHW 0.11
52 HRKRHLKHW 0.11
53 KRKKHLKKW 0.12
54 KRKPHLKHW 0.12
55 HRKKHLKKW 0.12
56 HRKPHLKHW 0.12
57 KRKPWLKHW 0.12
58 HRKKWLKKW 0.12
59 RRKRWLKRW 0.12
60 RRKPRLRHW 0.12
61 HRKKRLRRW 0.12
62 HRKPWLKHW 0.12
63 RRKKRLRKW 0.12
64 RRKRHLKRW 0.12
65 KRKKRLRRW 0.12
66 KRKKWLKKW 0.12
67 RRKRWLRHW 0.13
68 KRKRRLKRW 0.13
69 RRKRRLKKW 0.13
70 RRKPHLKRW 0.13
71 HRKRRLKRW 0.13
72 RRKPWLKRW 0.13
73 RRKRHLRHW 0.13
74 KRKPRLKRW 0.14
75 HRKRRLRHW 0.14
76 HRKPRLKRW 0.14
77 KRKKHLRRW 0.14
78 HRKKHLRRW 0.14
79 RRKPWLRHW 0.14
80 RRKKWLRKW 0.14
81 KRKRRLRHW 0.14
82 HRKKWLRRW 0.14
83 RRKKHLRKW 0.14
84 RRKPHLRHW 0.14
85 KRKKWLRRW 0.14
86 RRKPRLKKW 0.14
87 KRKRWLKRW 0.15
88 KRKKRLRKW 0.15
89 RRKRHLKKW 0.15
90 HRKKRLRKW 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKKRLRHW

5.72

-7.83

-2.11
2 RRKKRLKRW

5.29

-7.12

-1.83
3 RRKKRLKHW

5.29

-6.88

-1.59
4 RRKKWLKKW

5.46

-6.9

-1.44
5 HRKKRLKHW

5.51

-6.88

-1.37
6 RRKKWLRHW

6.33

-7.62

-1.29
7 HRKKWLKRW

5.4

-6.54

-1.14
8 RRKKHLKRW

6.01

-7.1

-1.09
9 HRKKRLKRW

5.07

-6.1

-1.03
10 RRKPRLKHW

5.18

-6.16

-0.98
11 KRKKHLKHW

6.2

-7.07

-0.87
12 KRKKRLKRW

5.09

-5.93

-0.84
13 HRKKRLRHW

6.06

-6.85

-0.79
14 RRKKRLKKW

5.72

-6.49

-0.77
15 RRKKHLKKW

5.23

-5.99

-0.76
16 RRKRHLKHW

6.22

-6.84

-0.62
17 RRKKWLKHW

5.47

-5.98

-0.51
18 RRKRRLKHW

6.01

-6.48

-0.47
19 KRKKHLKRW

6.42

-6.84

-0.42
20 RRKRWLKHW

6.45

-6.85

-0.4
21 KRKKWLKHW

6.14

-6.29

-0.15
22 HRKKHLKHW

5.86

-5.91

-0.05
23 KRKKWLKRW

6.75

-6.79

-0.04
24 RRKKHLRHW

6.45

-6.38

0.07
25 RRKKWLKRW

6.83

-6.73

0.1
26 HRKKWLKHW

5.29

-5.16

0.13
27 RRKKHLKHW

6.07

-5.94

0.13
28 KRKRRLKHW

7.03

-6.19

0.84
29 KRKKRLRHW

6.42

-5.32

1.1
30 KRKKRLKHW

7.21

-6.07

1.14

 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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