Predicted ligand sequences


ADAN-name: 1RLP2.PDB (view again the scoring matrix)

PDB name: [1RLP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R A L P P L P R Y
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 7.960 ΔGbinding -10.150
TOTAL
 -2.190
Backbone Hb -0.980 Cis_bond 0.000
Sidechain Hb -1.860 Torsional clash 0.060
Van der Waals -6.150 Backbone clash 0.790
Electrostatics -1.320 Helix dipole 0.000
Solvation Polar 4.420 Water bridges -0.190
Solvation Hyd -8.990 Disulfide 0.000
VdW clashes 1.060 Electrost. Kon -1.030
Entropy sc 3.340 Part.cov.bonds 0.000
Entropy mc

1.480

 ΔGstability

48.350
       

Predicted ligand sequences for template [1RLP2.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).
 
  1RLP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KPLPGRRRM 0.0
2 KPLPFRRRM 0.01
3 KPLPPRRRM 0.01
4 KPLPGLRRM 0.03
5 KKLPGRRRM 0.04
6 KPLPFLRRM 0.04
7 KPLPPLRRM 0.04
8 KKLPFRRRM 0.05
9 KKLPPRRRM 0.05
10 KPLPGYRRM 0.05
11 KPLPPYRRM 0.06
12 KGLPGRRRM 0.06
13 KPLPFYRRM 0.06
14 KKLPGLRRM 0.07
15 KGLPFRRRM 0.07
16 KGLPPRRRM 0.07
17 KKLPFLRRM 0.08
18 KKLPPLRRM 0.08
19 KGLPGLRRM 0.08
20 KKLPGYRRM 0.09
21 KPLAGRRRM 0.09
22 KPLPGRMRM 0.09
23 KPLAPRRRM 0.1
24 KPLAFRRRM 0.1
25 KGLPFLRRM 0.1
26 KPLPFRMRM 0.1
27 KKLPFYRRM 0.1
28 KPLPPRMRM 0.1
29 KKLPPYRRM 0.1
30 KGLPPLRRM 0.1
31 KGLPGYRRM 0.11
32 KPLPGRRRR 0.12
33 KGLPFYRRM 0.12
34 KPLPGLMRM 0.12
35 KGLPPYRRM 0.12
36 KPLAGLRRM 0.12
37 KPLAPLRRM 0.13
38 KPLPFLMRM 0.13
39 KKLAGRRRM 0.13
40 KPLPFRRRR 0.13
41 KPLPPLMRM 0.13
42 KKLPGRMRM 0.13
43 KPLPPRRRR 0.13
44 KPLAFLRRM 0.13
45 KPLPGRRRK 0.14
46 KKLAPRRRM 0.14
47 KKLPFRMRM 0.14
48 KPLPGYMRM 0.14
49 KKLAFRRRM 0.14
50 KPLAGYRRM 0.14
51 KPLPGLRRR 0.14
52 KKLPPRMRM 0.14
53 KPLPPYMRM 0.15
54 KPLAFYRRM 0.15
55 KGLPGRMRM 0.15
56 KPLPFRRRK 0.15
57 KPLPFYMRM 0.15
58 KPLPFLRRR 0.15
59 KGLAGRRRM 0.15
60 KPLPPRRRK 0.15
61 KPLPGRPRM 0.15
62 KPLAPYRRM 0.15
63 KPLPPLRRR 0.15
64 KGLAFRRRM 0.16
65 KKLPGLMRM 0.16
66 KGLPFRMRM 0.16
67 KKLAGLRRM 0.16
68 KKLPGRRRR 0.16
69 KPLPGYRRR 0.16
70 KGLAPRRRM 0.16
71 KPLPPRPRM 0.16
72 KGLPPRMRM 0.16
73 KPLPFRPRM 0.16
74 KPLPPYRRR 0.17
75 KKLPFLMRM 0.17
76 KKLAPLRRM 0.17
77 KKLPFRRRR 0.17
78 KKLPPRRRR 0.17
79 KPLPFYRRR 0.17
80 KPLPGLRRK 0.17
81 KPLPGLPRM 0.17
82 KKLAFLRRM 0.17
83 KKLPPLMRM 0.17
84 KGLPGRRRR 0.18
85 KKLPGLRRR 0.18
86 KGLPGLMRM 0.18
87 KKLPGRRRK 0.18
88 KKLAGYRRM 0.18
89 KKLPGYMRM 0.18
90 KPLPFLRRK 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KGLPPRRRM

7.64

-10.8

-3.16
2 KKLPFLRRM

7.84

-10.42

-2.58
3 KKLPPYRRM

6.93

-9.48

-2.55
4 KKLPFYRRM

7.51

-10.04

-2.53
5 KPLPFRMRM

8.09

-10.54

-2.45
6 KPLPPYRRM

7.98

-10.25

-2.27
7 KKLPGYRRM

7.69

-9.95

-2.26
8 KKLPGLRRM

7.44

-9.64

-2.2
9 KKLPPRRRM

8.41

-10.61

-2.2
10 KPLPGLRRM

7.7

-9.71

-2.01
11 KPLAGRRRM

7.6

-9.47

-1.87
12 KPLPPLRRM

8.04

-9.83

-1.79
13 KGLPGRRRM

8.32

-10.1

-1.78
14 KGLPFLRRM

8.0

-9.74

-1.74
15 KKLPPLRRM

8.19

-9.92

-1.73
16 KGLPFRRRM

7.63

-9.32

-1.69
17 KPLPGRMRM

9.38

-10.71

-1.33
18 KGLPGLRRM

7.98

-9.29

-1.31
19 KGLPPLRRM

7.99

-9.23

-1.24
20 KPLPFRRRM

7.45

-8.38

-0.93
21 KPLPPRRRM

8.32

-9.23

-0.91
22 KPLPFYRRM

8.57

-9.47

-0.9
23 KKLPFRRRM

8.79

-9.37

-0.58
24 KPLPFLRRM

8.04

-8.51

-0.47
25 KPLAPRRRM

9.29

-9.68

-0.39
26 KPLPGRRRM

8.19

-8.49

-0.3
27 KPLPPRMRM

8.03

-8.26

-0.23
28 KPLPGYRRM

9.47

-9.49

-0.02
29 KPLAFRRRM

7.59

-7.34

0.25
30 KKLPGRRRM

9.3

-9.04

0.26

 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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