Predicted ligand sequences


ADAN-name: 1RLQ2.PDB (view again the scoring matrix)

PDB name: [1RLQ.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 8.169 ΔGbinding -8.150
TOTAL
 0.019
Backbone Hb -0.400 Cis_bond 0.000
Sidechain Hb -0.320 Torsional clash 0.110
Van der Waals -5.940 Backbone clash 0.290
Electrostatics -0.540 Helix dipole 0.000
Solvation Polar 3.920 Water bridges -0.190
Solvation Hyd -8.940 Disulfide 0.000
VdW clashes 0.700 Electrost. Kon -0.560
Entropy sc 2.890 Part.cov.bonds 0.000
Entropy mc

1.110

 ΔGstability

69.480
       

Predicted ligand sequences for template [1RLQ2.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).
 
  1RLQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPLPGLRRA 0.0
2 IPLPGLRRG 0.0
3 IPLPGLRRW 0.0
4 IHLPGLRRW 0.01
5 IHLPGLRRA 0.01
6 IHLPGLRRG 0.01
7 IRLPGLRRW 0.02
8 IRLPGLRRA 0.02
9 IRLPGLRRG 0.02
10 IPLPFLRRG 0.02
11 IPLPFLRRA 0.02
12 IPLPFLRRW 0.02
13 IPLPPLRRW 0.03
14 IPLPPLRRA 0.03
15 IPLPPLRRG 0.03
16 IHLPFLRRA 0.03
17 IHLPFLRRW 0.03
18 IHLPFLRRG 0.03
19 IRLPFLRRW 0.04
20 IRLPFLRRA 0.04
21 IHLPPLRRW 0.04
22 IHLPPLRRA 0.04
23 IHLPPLRRG 0.04
24 IPLPGLRHG 0.04
25 IPLPGLRHA 0.04
26 IPLPGLRHW 0.04
27 IRLPFLRRG 0.04
28 IRLPPLRRA 0.05
29 IRLPPLRRG 0.05
30 IRLPPLRRW 0.05
31 IHLPGLRHG 0.05
32 IHLPGLRHW 0.05
33 IHLPGLRHA 0.05
34 IRLPGLRHW 0.06
35 IRLPGLRHG 0.06
36 IRLPGLRHA 0.06
37 IPLPFLRHW 0.06
38 IPLPFLRHA 0.06
39 IPLPFLRHG 0.06
40 IPLPPLRHW 0.07
41 IPLPPLRHA 0.07
42 IPLPPLRHG 0.07
43 IHLPFLRHG 0.07
44 IHLPFLRHA 0.07
45 IHLPFLRHW 0.07
46 IPLPGLKRG 0.07
47 IPLPGLKRA 0.07
48 IPLPGLKRW 0.07
49 IRLPFLRHW 0.08
50 IRLPFLRHG 0.08
51 IRLPFLRHA 0.08
52 IHLPGLKRG 0.08
53 IHLPGLKRA 0.08
54 IHLPGLKRW 0.08
55 IPLPGLRFG 0.08
56 IPLPGLRFA 0.08
57 IPLPGLRFW 0.08
58 IHLPPLRHA 0.08
59 IHLPPLRHG 0.08
60 IHLPPLRHW 0.08
61 IRLPGLKRW 0.09
62 IRLPGLKRG 0.09
63 IRLPGLKRA 0.09
64 IPLPFLKRW 0.09
65 IPLPFLKRA 0.09
66 IPLPFLKRG 0.09
67 IHLPGLRFW 0.09
68 IHLPGLRFG 0.09
69 IHLPGLRFA 0.09
70 IRLPPLRHW 0.09
71 IRLPPLRHA 0.09
72 IRLPPLRHG 0.09
73 IPLPPLKRG 0.1
74 IPLPPLKRA 0.1
75 IPLPPLKRW 0.1
76 IPLPFLRFW 0.1
77 IPLPFLRFA 0.1
78 IPLPFLRFG 0.1
79 IRLPGLRFW 0.1
80 IRLPGLRFG 0.1
81 IRLPGLRFA 0.1
82 IHLPFLKRA 0.1
83 IHLPFLKRG 0.1
84 IHLPFLKRW 0.1
85 IRLPFLKRW 0.11
86 IRLPFLKRA 0.11
87 IRLPFLKRG 0.11
88 IPLPGLKHG 0.11
89 IPLPGLKHA 0.11
90 IPLPGLKHW 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IHLPPLRRG

3.75

-9.5

-5.75
2 IPLPPLRRA

3.81

-9.06

-5.25
3 IPLPGLRHA

3.59

-8.79

-5.2
4 IRLPGLRRG

3.4

-8.36

-4.96
5 IPLPFLRRW

5.02

-9.86

-4.84
6 IRLPPLRRW

5.14

-9.86

-4.72
7 IPLPGLRHG

3.58

-8.27

-4.69
8 IRLPPLRRG

3.87

-8.54

-4.67
9 IRLPPLRRA

3.83

-8.49

-4.66
10 IRLPFLRRA

3.37

-8.02

-4.65
11 IPLPFLRRA

3.48

-8.1

-4.62
12 IPLPGLRRW

4.94

-9.5

-4.56
13 IHLPGLRRA

3.68

-8.21

-4.53
14 IPLPPLRRG

3.61

-8.1

-4.49
15 IPLPFLRRG

3.34

-7.82

-4.48
16 IRLPFLRRG

3.26

-7.72

-4.46
17 IPLPGLRRG

3.61

-8.04

-4.43
18 IPLPGLRRA

4.21

-8.55

-4.34
19 IHLPGLRRG

3.77

-8.07

-4.3
20 IHLPFLRRA

3.57

-7.86

-4.29
21 IHLPPLRRA

3.61

-7.89

-4.28
22 IRLPGLRRA

3.55

-7.78

-4.23
23 IPLPGLRHW

4.89

-9.01

-4.12
24 IHLPFLRRG

3.75

-7.74

-3.99
25 IPLPPLRRW

4.72

-8.52

-3.8
26 IRLPGLRRW

4.64

-8.39

-3.75
27 IHLPPLRRW

4.81

-8.34

-3.53
28 IHLPGLRRW

4.72

-8.24

-3.52
29 IHLPFLRRW

4.66

-7.78

-3.12
30 IRLPFLRRW

4.93

-7.83

-2.9

 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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